CID 66778

Benzenesulfonamide, n,n,4-trimethyl-3-nitro-

Structural Information

Molecular Formula
C9H12N2O4S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)[N+](=O)[O-]
InChI
InChI=1S/C9H12N2O4S/c1-7-4-5-8(6-9(7)11(12)13)16(14,15)10(2)3/h4-6H,1-3H3
InChIKey
HUMQVESBHAREIH-UHFFFAOYSA-N
Compound name
N,N,4-trimethyl-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

30
Patents

244.05177 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05905 147.7
[M+Na]+ 267.04099 155.1
[M-H]- 243.04449 153.3
[M+NH4]+ 262.08559 165.1
[M+K]+ 283.01493 149.7
[M+H-H2O]+ 227.04903 145.9
[M+HCOO]- 289.04997 168.5
[M+CH3COO]- 303.06562 189.3
[M+Na-2H]- 265.02644 153.7
[M]+ 244.05122 149.9
[M]- 244.05232 149.9
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