CID 292418

5'-chloro-4'-nitro-p-toluenesulfon-o-anisidide

Structural Information

Molecular Formula
C14H13ClN2O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2OC)[N+](=O)[O-])Cl
InChI
InChI=1S/C14H13ClN2O5S/c1-9-3-5-10(6-4-9)23(20,21)16-12-7-11(15)13(17(18)19)8-14(12)22-2/h3-8,16H,1-2H3
InChIKey
BKQPCLFPOKGRLL-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methoxy-4-nitrophenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.02338 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.03066 174.1
[M+Na]+ 379.01260 187.9
[M+NH4]+ 374.05720 180.9
[M+K]+ 394.98654 182.7
[M-H]- 355.01610 178.5
[M+Na-2H]- 376.99805 181.3
[M]+ 356.02283 178.0
[M]- 356.02393 178.0
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.