CID 99647812

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotriacontane

Structural Information

Molecular Formula
C30H37F25
SMILES
CCCCCCCCCCCCCCCCCCC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C30H37F25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(31,32)20(33,34)21(35,36)22(37,38)23(39,40)24(41,42)25(43,44)26(45,46)27(47,48)28(49,50)29(51,52)30(53,54)55/h2-18H2,1H3
InChIKey
ZQTOGMUPCQLFRE-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotriacontane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

872.24963 Da
Monoisotopic Mass

18.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 873.25691 242.0
[M+Na]+ 895.23885 243.6
[M-H]- 871.24235 247.6
[M+NH4]+ 890.28345 252.7
[M+K]+ 911.21279 261.7
[M+H-H2O]+ 855.24689 227.2
[M+HCOO]- 917.24783 255.8
[M+CH3COO]- 931.26348 288.2
[M+Na-2H]- 893.22430 237.3
[M]+ 872.24908 240.0
[M]- 872.25018 240.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.