CID 2833646

4-chloro-n,n-diethyl-3-nitrobenzenesulfonamide

Structural Information

Molecular Formula
C10H13ClN2O4S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H13ClN2O4S/c1-3-12(4-2)18(16,17)8-5-6-9(11)10(7-8)13(14)15/h5-7H,3-4H2,1-2H3
InChIKey
PQUNWYHOMQGOAT-UHFFFAOYSA-N
Compound name
4-chloro-N,N-diethyl-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

292.02844 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.035716 159.4
[M+Na]+ 315.017658 166.7
[M-H]- 291.021164 164.7
[M+NH4]+ 310.062263 175.7
[M+K]+ 330.991598 159.5
[M+H-H2O]+ 275.025700 158.6
[M+HCOO]- 337.026641 175.4
[M+CH3COO]- 351.042291 196.1
[M+Na-2H]- 313.003106 164.4
[M]+ 292.02789142 164.0
[M]- 292.02898858 164.0
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