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

36
Patents

222.987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.994276 139.3
[M+Na]+ 245.976218 149.2
[M-H]- 221.979724 142.4
[M+NH4]+ 241.020823 158.8
[M+K]+ 261.950158 144.4
[M+H-H2O]+ 205.984260 133.9
[M+HCOO]- 267.985201 153.9
[M+CH3COO]- 282.000851 184.3
[M+Na-2H]- 243.961666 144.6
[M]+ 222.98645142 142.0
[M]- 222.98754858 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