CID 37621

37076-88-3

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 153.3
[M+Na]+ 264.06312 166.8
[M+NH4]+ 259.10772 161.1
[M+K]+ 280.03706 159.8
[M-H]- 240.06662 157.6
[M+Na-2H]- 262.04857 162.6
[M]+ 241.07335 156.3
[M]- 241.07445 156.3
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

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