CID 2747580

N,n-dimethyl-4-nitrobenzenesulfonamide

Structural Information

Molecular Formula
C8H10N2O4S
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O4S/c1-9(2)15(13,14)8-5-3-7(4-6-8)10(11)12/h3-6H,1-2H3
InChIKey
ZCWXRMBVAKOURU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

230.03613 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04341 143.8
[M+Na]+ 253.02535 150.8
[M-H]- 229.02885 149.3
[M+NH4]+ 248.06995 161.5
[M+K]+ 268.99929 145.6
[M+H-H2O]+ 213.03339 141.9
[M+HCOO]- 275.03433 165.0
[M+CH3COO]- 289.04998 185.1
[M+Na-2H]- 251.01080 150.8
[M]+ 230.03558 145.3
[M]- 230.03668 145.3
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