CID 80850

4-chloro-n-methyl-3-nitro-n-phenylbenzenesulfonamide

Structural Information

Molecular Formula
C13H11ClN2O4S
SMILES
CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H11ClN2O4S/c1-15(10-5-3-2-4-6-10)21(19,20)11-7-8-12(14)13(9-11)16(17)18/h2-9H,1H3
InChIKey
ZRESUPFQMJFEHM-UHFFFAOYSA-N
Compound name
4-chloro-N-methyl-3-nitro-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

326.01282 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.02010 165.3
[M+Na]+ 349.00204 179.3
[M+NH4]+ 344.04664 173.1
[M+K]+ 364.97598 174.0
[M-H]- 325.00554 170.4
[M+Na-2H]- 346.98749 173.9
[M]+ 326.01227 169.5
[M]- 326.01337 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

patents stripe