CID 101404

32658-60-9

Structural Information

Molecular Formula
C13H10ClN3O6S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2[N+](=O)[O-])Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H10ClN3O6S/c1-8-2-4-10(5-3-8)24(22,23)15-13-11(16(18)19)6-9(14)7-12(13)17(20)21/h2-7,15H,1H3
InChIKey
FZUBVTCCUIBIGL-UHFFFAOYSA-N
Compound name
N-(4-chloro-2,6-dinitrophenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.9979 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.00518 178.6
[M+Na]+ 393.98712 183.7
[M-H]- 369.99062 185.1
[M+NH4]+ 389.03172 188.8
[M+K]+ 409.96106 170.9
[M+H-H2O]+ 353.99516 180.3
[M+HCOO]- 415.99610 194.3
[M+CH3COO]- 430.01175 201.6
[M+Na-2H]- 391.97257 186.3
[M]+ 370.99735 178.8
[M]- 370.99845 178.8
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