CID 49767096

[4-(4-aminophenyl)sulfonylanilino]methanesulfinic acid

Structural Information

Molecular Formula
C13H14N2O4S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCS(=O)O
InChI
InChI=1S/C13H14N2O4S2/c14-10-1-5-12(6-2-10)21(18,19)13-7-3-11(4-8-13)15-9-20(16)17/h1-8,15H,9,14H2,(H,16,17)
InChIKey
WIZRMOOQLPGQNO-UHFFFAOYSA-N
Compound name
[4-(4-aminophenyl)sulfonylanilino]methanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0395 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.04678 169.2
[M+Na]+ 349.02872 175.6
[M-H]- 325.03222 173.3
[M+NH4]+ 344.07332 181.6
[M+K]+ 365.00266 169.1
[M+H-H2O]+ 309.03676 161.7
[M+HCOO]- 371.03770 181.3
[M+CH3COO]- 385.05335 204.1
[M+Na-2H]- 347.01417 172.0
[M]+ 326.03895 169.5
[M]- 326.04005 169.5
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.