CID 43258689

4-amino-n-(3-chloro-4-fluorophenyl)-2-methoxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C13H12ClFN2O3S
SMILES
COC1=C(C=CC(=C1)N)S(=O)(=O)NC2=CC(=C(C=C2)F)Cl
InChI
InChI=1S/C13H12ClFN2O3S/c1-20-12-6-8(16)2-5-13(12)21(18,19)17-9-3-4-11(15)10(14)7-9/h2-7,17H,16H2,1H3
InChIKey
MHJBBKPFTZBDCM-UHFFFAOYSA-N
Compound name
4-amino-N-(3-chloro-4-fluorophenyl)-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0241 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03138 168.5
[M+Na]+ 353.01332 178.6
[M-H]- 329.01682 174.4
[M+NH4]+ 348.05792 183.3
[M+K]+ 368.98726 172.4
[M+H-H2O]+ 313.02136 161.3
[M+HCOO]- 375.02230 183.1
[M+CH3COO]- 389.03795 208.3
[M+Na-2H]- 350.99877 171.3
[M]+ 330.02355 172.0
[M]- 330.02465 172.0
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.