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 175.4
[M+Na]+ 379.01260 183.0
[M-H]- 355.01610 182.7
[M+NH4]+ 374.05720 188.2
[M+K]+ 394.98654 174.1
[M+H-H2O]+ 339.02064 173.2
[M+HCOO]- 401.02158 191.0
[M+CH3COO]- 415.03723 205.1
[M+Na-2H]- 376.99805 180.9
[M]+ 356.02283 179.9
[M]- 356.02393 179.9
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.