CID 302825

2,4,6-trichlorophenyl n-phenylcarbamate

Structural Information

Molecular Formula
C13H8Cl3NO2
SMILES
C1=CC=C(C=C1)NC(=O)OC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C13H8Cl3NO2/c14-8-6-10(15)12(11(16)7-8)19-13(18)17-9-4-2-1-3-5-9/h1-7H,(H,17,18)
InChIKey
MHTUWWRVXGIDIK-UHFFFAOYSA-N
Compound name
(2,4,6-trichlorophenyl) N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

314.96207 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.969346 163.1
[M+Na]+ 337.951288 173.2
[M-H]- 313.954794 168.5
[M+NH4]+ 332.995893 179.1
[M+K]+ 353.925228 166.8
[M+H-H2O]+ 297.959330 158.3
[M+HCOO]- 359.960271 173.4
[M+CH3COO]- 373.975921 203.3
[M+Na-2H]- 335.936736 166.4
[M]+ 314.96152142 167.6
[M]- 314.96261858 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

patents stripe