CID 669015

N-(2-fluorophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H8FNO2S
SMILES
CS(=O)(=O)NC1=CC=CC=C1F
InChI
InChI=1S/C7H8FNO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey
DJLCKPRURZWUOU-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

189.02597 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.033246 133.7
[M+Na]+ 212.015188 142.9
[M-H]- 188.018694 136.7
[M+NH4]+ 207.059793 153.7
[M+K]+ 227.989128 140.0
[M+H-H2O]+ 172.023230 127.3
[M+HCOO]- 234.024171 152.7
[M+CH3COO]- 248.039821 180.5
[M+Na-2H]- 210.000636 139.3
[M]+ 189.02542142 134.4
[M]- 189.02651858 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe