CID 59745720

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorohexacosane

Structural Information

Molecular Formula
C26H37F17
SMILES
CCCCCCCCCCCCCCCCCCC(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/C26H37F17/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/h2-18H2,1H3
InChIKey
QYCYRXLTCUNSSB-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorohexacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

672.2624 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.26968 218.8
[M+Na]+ 695.25162 222.4
[M-H]- 671.25512 218.6
[M+NH4]+ 690.29622 226.2
[M+K]+ 711.22556 235.5
[M+H-H2O]+ 655.25966 206.5
[M+HCOO]- 717.26060 234.2
[M+CH3COO]- 731.27625 270.2
[M+Na-2H]- 693.23707 211.6
[M]+ 672.26185 216.6
[M]- 672.26295 216.6
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