CID 63648807

(3-fluoro-4-methylphenyl)methanesulfonamide

Structural Information

Molecular Formula
C8H10FNO2S
SMILES
CC1=C(C=C(C=C1)CS(=O)(=O)N)F
InChI
InChI=1S/C8H10FNO2S/c1-6-2-3-7(4-8(6)9)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKey
BRGBJOARAPZJCN-UHFFFAOYSA-N
Compound name
(3-fluoro-4-methylphenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

203.04163 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04891 138.2
[M+Na]+ 226.03085 147.8
[M-H]- 202.03435 140.9
[M+NH4]+ 221.07545 157.7
[M+K]+ 242.00479 144.3
[M+H-H2O]+ 186.03889 131.9
[M+HCOO]- 248.03983 156.2
[M+CH3COO]- 262.05548 184.0
[M+Na-2H]- 224.01630 141.6
[M]+ 203.04108 138.6
[M]- 203.04218 138.6
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