CID 67300

Benzenesulfonamide, 4-chloro-n,n-dimethyl-3-nitro-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33778
Patents

263.99716 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.00444 149.9
[M+Na]+ 286.98638 158.0
[M-H]- 262.98988 155.6
[M+NH4]+ 282.03098 167.3
[M+K]+ 302.96032 151.3
[M+H-H2O]+ 246.99442 149.5
[M+HCOO]- 308.99536 166.5
[M+CH3COO]- 323.01101 190.1
[M+Na-2H]- 284.97183 155.9
[M]+ 263.99661 153.8
[M]- 263.99771 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

literature stripe

Patent stripe

patents stripe