CID 130526375

3-amino-4,5-difluoro-n-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C7H8F2N2O2S
SMILES
CNS(=O)(=O)C1=CC(=C(C(=C1)F)F)N
InChI
InChI=1S/C7H8F2N2O2S/c1-11-14(12,13)4-2-5(8)7(9)6(10)3-4/h2-3,11H,10H2,1H3
InChIKey
MZBPUPRFLRXPTN-UHFFFAOYSA-N
Compound name
3-amino-4,5-difluoro-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.02745 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03473 139.6
[M+Na]+ 245.01667 149.5
[M-H]- 221.02017 141.1
[M+NH4]+ 240.06127 158.0
[M+K]+ 260.99061 145.6
[M+H-H2O]+ 205.02471 132.1
[M+HCOO]- 267.02565 157.7
[M+CH3COO]- 281.04130 190.1
[M+Na-2H]- 243.00212 142.8
[M]+ 222.02690 138.0
[M]- 222.02800 138.0
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

No patent data available for this compound.