CID 72373295

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorohexacos-9-ene

Structural Information

Molecular Formula
C26H35F17
SMILES
CCCCCCCCCCCCCCCCC=CC(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/C26H35F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43/h17-18H,2-16H2,1H3
InChIKey
RJTGGFRPTUCUTK-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorohexacos-9-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

670.2467 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 671.25398 217.5
[M+Na]+ 693.23592 221.6
[M-H]- 669.23942 218.0
[M+NH4]+ 688.28052 225.2
[M+K]+ 709.20986 234.3
[M+H-H2O]+ 653.24396 205.3
[M+HCOO]- 715.24490 233.5
[M+CH3COO]- 729.26055 268.8
[M+Na-2H]- 691.22137 210.7
[M]+ 670.24615 215.1
[M]- 670.24725 215.1
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