CID 853863

2204-74-2

Structural Information

Molecular Formula
C14H11Cl2NO2
SMILES
CC1=CC=C(C=C1)OC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2NO2/c1-9-2-5-11(6-3-9)19-14(18)17-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H,17,18)
InChIKey
YGOZWJLOFNGIEV-UHFFFAOYSA-N
Compound name
(4-methylphenyl) N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

295.0167 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.02398 162.0
[M+Na]+ 318.00592 171.8
[M-H]- 294.00942 168.6
[M+NH4]+ 313.05052 178.8
[M+K]+ 333.97986 165.8
[M+H-H2O]+ 278.01396 156.3
[M+HCOO]- 340.01490 177.4
[M+CH3COO]- 354.03055 201.3
[M+Na-2H]- 315.99137 165.8
[M]+ 295.01615 166.6
[M]- 295.01725 166.6
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