CID 139596933

Perfluoropentane sulfonamidoethanol

Structural Information

Molecular Formula
C7H6F11NO3S
SMILES
C(CO)NS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H6F11NO3S/c8-3(9,4(10,11)6(14,15)16)5(12,13)7(17,18)23(21,22)19-1-2-20/h19-20H,1-2H2
InChIKey
RLSOMCPWHPIDNS-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)pentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

392.9893 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.99658 167.3
[M+Na]+ 415.97852 174.6
[M-H]- 391.98202 153.1
[M+NH4]+ 411.02312 156.7
[M+K]+ 431.95246 171.1
[M+H-H2O]+ 375.98656 154.4
[M+HCOO]- 437.98750 171.8
[M+CH3COO]- 452.00315 214.3
[M+Na-2H]- 413.96397 171.2
[M]+ 392.98875 152.2
[M]- 392.98985 152.2
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.