CID 125493012

4-chlorophenyl (2,2,3,3,4,4,4-heptafluorobutanoyl)sulfamate

Structural Information

Molecular Formula
C10H5ClF7NO4S
SMILES
C1=CC(=CC=C1OS(=O)(=O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C10H5ClF7NO4S/c11-5-1-3-6(4-2-5)23-24(21,22)19-7(20)8(12,13)9(14,15)10(16,17)18/h1-4H,(H,19,20)
InChIKey
JFPOJRKSHNMRDK-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) N-(2,2,3,3,4,4,4-heptafluorobutanoyl)sulfamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

402.9516 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.95888 169.3
[M+Na]+ 425.94082 178.3
[M-H]- 401.94432 164.5
[M+NH4]+ 420.98542 180.7
[M+K]+ 441.91476 173.4
[M+H-H2O]+ 385.94886 158.8
[M+HCOO]- 447.94980 171.8
[M+CH3COO]- 461.96545 214.1
[M+Na-2H]- 423.92627 173.3
[M]+ 402.95105 165.3
[M]- 402.95215 165.3
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.