CID 26554

Brn 3015803

Structural Information

Molecular Formula
C19H14N2O6S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)OC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C19H14N2O6S/c22-19(27-18-9-5-4-8-17(18)21(23)24)20-14-10-12-16(13-11-14)28(25,26)15-6-2-1-3-7-15/h1-13H,(H,20,22)
InChIKey
QVJYFEUQAPBHJE-UHFFFAOYSA-N
Compound name
(2-nitrophenyl) N-[4-(benzenesulfonyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.05725 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.06453 183.4
[M+Na]+ 421.04647 196.7
[M+NH4]+ 416.09107 189.3
[M+K]+ 437.02041 191.9
[M-H]- 397.04997 189.4
[M+Na-2H]- 419.03192 193.4
[M]+ 398.05670 187.2
[M]- 398.05780 187.2
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

No patent data available for this compound.