CID 37616

4-cyanophenyl n-phenylcarbamate

Structural Information

Molecular Formula
C14H10N2O2
SMILES
C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H10N2O2/c15-10-11-6-8-13(9-7-11)18-14(17)16-12-4-2-1-3-5-12/h1-9H,(H,16,17)
InChIKey
HCNDKZNEGZASFO-UHFFFAOYSA-N
Compound name
(4-cyanophenyl) N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.07423 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.081506 158.3
[M+Na]+ 261.063448 167.4
[M-H]- 237.066954 163.5
[M+NH4]+ 256.108053 173.2
[M+K]+ 277.037388 162.4
[M+H-H2O]+ 221.071490 144.1
[M+HCOO]- 283.072431 179.2
[M+CH3COO]- 297.088081 203.2
[M+Na-2H]- 259.048896 163.5
[M]+ 238.07368142 152.9
[M]- 238.07477858 152.9
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