CID 71405888

871311-25-0

Structural Information

Molecular Formula
C25H35F17
SMILES
CCCCCCCCCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C25H35F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42/h2-17H2,1H3
InChIKey
XZMHQGNALQAGNL-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoropentacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

658.2467 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.25398 215.3
[M+Na]+ 681.23592 219.0
[M-H]- 657.23942 215.4
[M+NH4]+ 676.28052 222.7
[M+K]+ 697.20986 231.8
[M+H-H2O]+ 641.24396 203.1
[M+HCOO]- 703.24490 231.0
[M+CH3COO]- 717.26055 267.9
[M+Na-2H]- 679.22137 208.5
[M]+ 658.24615 213.2
[M]- 658.24725 213.2
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

patents stripe