CID 86085702

Dtxsid10895343

Structural Information

Molecular Formula
C23H31F17
SMILES
CCCCCCCCCCCCCCCC(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/C23H31F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)23(38,39)40/h2-15H2,1H3
InChIKey
XVPKYBWEMFZZBF-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotricosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

630.21545 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.22273 208.2
[M+Na]+ 653.20467 212.3
[M-H]- 629.20817 209.0
[M+NH4]+ 648.24927 215.7
[M+K]+ 669.17861 224.4
[M+H-H2O]+ 613.21271 196.3
[M+HCOO]- 675.21365 224.6
[M+CH3COO]- 689.22930 263.1
[M+Na-2H]- 651.19012 202.3
[M]+ 630.21490 206.3
[M]- 630.21600 206.3
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.