CID 20105580

10372-90-4

Structural Information

Molecular Formula
C8H9ClN2O4S
SMILES
CN(C)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H9ClN2O4S/c1-10(2)16(14,15)8-5-6(11(12)13)3-4-7(8)9/h3-5H,1-2H3
InChIKey
OYTKZYRZJKFNSZ-UHFFFAOYSA-N
Compound name
2-chloro-N,N-dimethyl-5-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

263.99716 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.004436 149.9
[M+Na]+ 286.986378 158.0
[M-H]- 262.989884 155.6
[M+NH4]+ 282.030983 167.3
[M+K]+ 302.960318 151.3
[M+H-H2O]+ 246.994420 149.5
[M+HCOO]- 308.995361 166.5
[M+CH3COO]- 323.011011 190.1
[M+Na-2H]- 284.971826 155.9
[M]+ 263.99661142 153.8
[M]- 263.99770858 153.8
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