CID 37621

4-formylphenyl n-phenylcarbamate

Structural Information

Molecular Formula
C14H11NO3
SMILES
C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)C=O
InChI
InChI=1S/C14H11NO3/c16-10-11-6-8-13(9-7-11)18-14(17)15-12-4-2-1-3-5-12/h1-10H,(H,15,17)
InChIKey
BPFODGWHRDEZIG-UHFFFAOYSA-N
Compound name
(4-formylphenyl) N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

241.0739 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 151.8
[M+Na]+ 264.06312 158.7
[M-H]- 240.06662 158.6
[M+NH4]+ 259.10772 168.6
[M+K]+ 280.03706 155.8
[M+H-H2O]+ 224.07116 144.0
[M+HCOO]- 286.07210 177.3
[M+CH3COO]- 300.08775 192.1
[M+Na-2H]- 262.04857 158.3
[M]+ 241.07335 152.6
[M]- 241.07445 152.6
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