CID 4624936

2,3,4-trichlorophenyl n-phenylcarbamate

Structural Information

Molecular Formula
C13H8Cl3NO2
SMILES
C1=CC=C(C=C1)NC(=O)OC2=C(C(=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C13H8Cl3NO2/c14-9-6-7-10(12(16)11(9)15)19-13(18)17-8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChIKey
WGQKTXDSXBASRE-UHFFFAOYSA-N
Compound name
(2,3,4-trichlorophenyl) N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.96207 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.96935 163.1
[M+Na]+ 337.95129 173.2
[M-H]- 313.95479 168.5
[M+NH4]+ 332.99589 179.1
[M+K]+ 353.92523 166.8
[M+H-H2O]+ 297.95933 158.3
[M+HCOO]- 359.96027 173.4
[M+CH3COO]- 373.97592 203.3
[M+Na-2H]- 335.93674 166.4
[M]+ 314.96152 167.6
[M]- 314.96262 167.6
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

No patent data available for this compound.