CID 5019418

380335-72-8

Structural Information

Molecular Formula
C14H13ClN2O4S
SMILES
CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H13ClN2O4S/c1-2-16(11-6-4-3-5-7-11)22(20,21)12-8-9-13(15)14(10-12)17(18)19/h3-10H,2H2,1H3
InChIKey
ZQNDSTJXPOGQQT-UHFFFAOYSA-N
Compound name
4-chloro-N-ethyl-3-nitro-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

340.02844 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.03572 172.6
[M+Na]+ 363.01766 179.1
[M-H]- 339.02116 180.7
[M+NH4]+ 358.06226 186.3
[M+K]+ 378.99160 170.8
[M+H-H2O]+ 323.02570 170.1
[M+HCOO]- 385.02664 188.7
[M+CH3COO]- 399.04229 203.9
[M+Na-2H]- 361.00311 178.3
[M]+ 340.02789 176.3
[M]- 340.02899 176.3
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