CID 102225000

Dtxsid20896169

Structural Information

Molecular Formula
C12H16F9NO2S
SMILES
C1CCCC(CCC1)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H16F9NO2S/c13-9(14,11(17,18)19)10(15,16)12(20,21)25(23,24)22-8-6-4-2-1-3-5-7-8/h8,22H,1-7H2
InChIKey
IQHFWDNZUPFZQI-UHFFFAOYSA-N
Compound name
N-cyclooctyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

409.0758 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.08308 161.9
[M+Na]+ 432.06502 165.8
[M-H]- 408.06852 158.4
[M+NH4]+ 427.10962 166.6
[M+K]+ 448.03896 165.0
[M+H-H2O]+ 392.07306 155.6
[M+HCOO]- 454.07400 161.7
[M+CH3COO]- 468.08965 237.7
[M+Na-2H]- 430.05047 161.2
[M]+ 409.07525 155.1
[M]- 409.07635 155.1
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

No patent data available for this compound.