CID 4226104

96445-19-1

Structural Information

Molecular Formula
C14H12ClNO2
SMILES
CC1=CC(=CC=C1)NC(=O)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H12ClNO2/c1-10-3-2-4-12(9-10)16-14(17)18-13-7-5-11(15)6-8-13/h2-9H,1H3,(H,16,17)
InChIKey
QBENWZACIVFTEX-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) N-(3-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

261.05566 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06294 156.3
[M+Na]+ 284.04488 164.8
[M-H]- 260.04838 163.3
[M+NH4]+ 279.08948 173.7
[M+K]+ 300.01882 160.1
[M+H-H2O]+ 244.05292 149.6
[M+HCOO]- 306.05386 176.8
[M+CH3COO]- 320.06951 195.7
[M+Na-2H]- 282.03033 161.6
[M]+ 261.05511 159.1
[M]- 261.05621 159.1
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