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]+ 262.062936 156.3
[M+Na]+ 284.044878 164.8
[M-H]- 260.048384 163.3
[M+NH4]+ 279.089483 173.7
[M+K]+ 300.018818 160.1
[M+H-H2O]+ 244.052920 149.6
[M+HCOO]- 306.053861 176.8
[M+CH3COO]- 320.069511 195.7
[M+Na-2H]- 282.030326 161.6
[M]+ 261.05511142 159.1
[M]- 261.05620858 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