CID 26598

Brn 3018113

Structural Information

Molecular Formula
C19H13ClN2O6S
SMILES
C1=CC(=CC=C1NC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H13ClN2O6S/c20-13-1-9-17(10-2-13)29(26,27)18-11-3-14(4-12-18)21-19(23)28-16-7-5-15(6-8-16)22(24)25/h1-12H,(H,21,23)
InChIKey
BVUMCXGZFLEPQU-UHFFFAOYSA-N
Compound name
(4-nitrophenyl) N-[4-(4-chlorophenyl)sulfonylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.01828 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.02556 190.7
[M+Na]+ 455.00750 205.2
[M+NH4]+ 450.05210 196.9
[M+K]+ 470.98144 199.5
[M-H]- 431.01100 196.8
[M+Na-2H]- 452.99295 200.4
[M]+ 432.01773 195.1
[M]- 432.01883 195.1
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.