CID 117019

Phenyl n-(4-cyanophenyl)carbamate

Structural Information

Molecular Formula
C14H10N2O2
SMILES
C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H10N2O2/c15-10-11-6-8-12(9-7-11)16-14(17)18-13-4-2-1-3-5-13/h1-9H,(H,16,17)
InChIKey
BXXVRXJSDVTMJN-UHFFFAOYSA-N
Compound name
phenyl N-(4-cyanophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

23
Patents

238.07423 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08151 158.3
[M+Na]+ 261.06345 167.4
[M-H]- 237.06695 163.5
[M+NH4]+ 256.10805 173.2
[M+K]+ 277.03739 162.4
[M+H-H2O]+ 221.07149 144.1
[M+HCOO]- 283.07243 179.2
[M+CH3COO]- 297.08808 203.2
[M+Na-2H]- 259.04890 163.5
[M]+ 238.07368 152.9
[M]- 238.07478 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