CID 54476729

(2,6-difluorophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H7F2NO2S
SMILES
C1=CC(=C(C(=C1)F)CS(=O)(=O)N)F
InChI
InChI=1S/C7H7F2NO2S/c8-6-2-1-3-7(9)5(6)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKey
XMCMBLABGQFAJA-UHFFFAOYSA-N
Compound name
(2,6-difluorophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

207.01656 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02384 135.9
[M+Na]+ 230.00578 146.0
[M-H]- 206.00928 137.3
[M+NH4]+ 225.05038 155.1
[M+K]+ 245.97972 142.2
[M+H-H2O]+ 190.01382 128.8
[M+HCOO]- 252.01476 153.2
[M+CH3COO]- 266.03041 183.8
[M+Na-2H]- 227.99123 139.3
[M]+ 207.01601 134.8
[M]- 207.01711 134.8
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