CID 26599

Brn 3015867

Structural Information

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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.06453 188.4
[M+Na]+ 421.04647 192.6
[M-H]- 397.04997 197.8
[M+NH4]+ 416.09107 197.2
[M+K]+ 437.02041 184.2
[M+H-H2O]+ 381.05451 182.9
[M+HCOO]- 443.05545 207.6
[M+CH3COO]- 457.07110 210.9
[M+Na-2H]- 419.03192 195.3
[M]+ 398.05670 188.7
[M]- 398.05780 188.7
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.