CID 37107

Phenyl n-(3-nitrophenyl)carbamate

Structural Information

Molecular Formula
C13H10N2O4
SMILES
C1=CC=C(C=C1)OC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H10N2O4/c16-13(19-12-7-2-1-3-8-12)14-10-5-4-6-11(9-10)15(17)18/h1-9H,(H,14,16)
InChIKey
JRBQTHUEPKJNBD-UHFFFAOYSA-N
Compound name
phenyl N-(3-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

258.06406 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 153.9
[M+Na]+ 281.05328 159.1
[M-H]- 257.05678 160.6
[M+NH4]+ 276.09788 168.8
[M+K]+ 297.02722 152.8
[M+H-H2O]+ 241.06132 150.3
[M+HCOO]- 303.06226 180.2
[M+CH3COO]- 317.07791 189.0
[M+Na-2H]- 279.03873 162.0
[M]+ 258.06351 152.3
[M]- 258.06461 152.3
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