CID 85868528

N-hexylperfluorobutanesulfonamide

Structural Information

Molecular Formula
C10H14F9NO2S
SMILES
CCCCCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H14F9NO2S/c1-2-3-4-5-6-20-23(21,22)10(18,19)8(13,14)7(11,12)9(15,16)17/h20H,2-6H2,1H3
InChIKey
OFEFNHLVJJQFHI-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluoro-N-hexylbutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

383.06015 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.06743 172.9
[M+Na]+ 406.04937 179.5
[M-H]- 382.05287 161.6
[M+NH4]+ 401.09397 184.0
[M+K]+ 422.02331 175.6
[M+H-H2O]+ 366.05741 160.6
[M+HCOO]- 428.05835 174.7
[M+CH3COO]- 442.07400 217.0
[M+Na-2H]- 404.03482 175.1
[M]+ 383.05960 163.0
[M]- 383.06070 163.0
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