CID 78644

Phenyl n-phenylcarbamate

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1=CC=C(C=C1)NC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C13H11NO2/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKey
XVNKRRXASPPECQ-UHFFFAOYSA-N
Compound name
phenyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

2898
Patents

213.07898 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08626 145.3
[M+Na]+ 236.06820 151.6
[M-H]- 212.07170 151.9
[M+NH4]+ 231.11280 163.1
[M+K]+ 252.04214 148.8
[M+H-H2O]+ 196.07624 137.7
[M+HCOO]- 258.07718 170.8
[M+CH3COO]- 272.09283 186.7
[M+Na-2H]- 234.05365 153.1
[M]+ 213.07843 144.7
[M]- 213.07953 144.7
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