CID 22279349

N-[(4-fluorophenyl)methyl]sulfamoyl chloride

Structural Information

Molecular Formula
C7H7ClFNO2S
SMILES
C1=CC(=CC=C1CNS(=O)(=O)Cl)F
InChI
InChI=1S/C7H7ClFNO2S/c8-13(11,12)10-5-6-1-3-7(9)4-2-6/h1-4,10H,5H2
InChIKey
IOLLFQPPMHKVFH-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]sulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

222.987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.99428 139.3
[M+Na]+ 245.97622 149.2
[M-H]- 221.97972 142.4
[M+NH4]+ 241.02082 158.8
[M+K]+ 261.95016 144.4
[M+H-H2O]+ 205.98426 133.9
[M+HCOO]- 267.98520 153.9
[M+CH3COO]- 282.00085 184.3
[M+Na-2H]- 243.96167 144.6
[M]+ 222.98645 142.0
[M]- 222.98755 142.0
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