CID 74762

4-(4-nitrophenyl)sulfonylaniline

Structural Information

Molecular Formula
C12H10N2O4S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O4S/c13-9-1-5-11(6-2-9)19(17,18)12-7-3-10(4-8-12)14(15)16/h1-8H,13H2
InChIKey
DMZVYFFBWHBWMO-UHFFFAOYSA-N
Compound name
4-(4-nitrophenyl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

89
Patents

278.03613 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04341 156.6
[M+Na]+ 301.02535 163.7
[M-H]- 277.02885 163.4
[M+NH4]+ 296.06995 171.2
[M+K]+ 316.99929 155.3
[M+H-H2O]+ 261.03339 153.7
[M+HCOO]- 323.03433 176.9
[M+CH3COO]- 337.04998 190.1
[M+Na-2H]- 299.01080 163.6
[M]+ 278.03558 155.2
[M]- 278.03668 155.2
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