CID 137949899

2172242-63-4

Structural Information

Molecular Formula
C8H9F2NO3S
SMILES
COC1=CC(=C(C=C1)S(=O)(=O)N)C(F)F
InChI
InChI=1S/C8H9F2NO3S/c1-14-5-2-3-7(15(11,12)13)6(4-5)8(9)10/h2-4,8H,1H3,(H2,11,12,13)
InChIKey
MYBKJTQNWMAYRK-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.02711 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03439 143.7
[M+Na]+ 260.01633 152.7
[M-H]- 236.01983 144.8
[M+NH4]+ 255.06093 161.4
[M+K]+ 275.99027 149.8
[M+H-H2O]+ 220.02437 136.2
[M+HCOO]- 282.02531 159.8
[M+CH3COO]- 296.04096 189.8
[M+Na-2H]- 258.00178 145.7
[M]+ 237.02656 143.8
[M]- 237.02766 143.8
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

No patent data available for this compound.