CID 306682

4-methoxyphenyl n-(3,4-dichlorophenyl)carbamate

Structural Information

Molecular Formula
C14H11Cl2NO3
SMILES
COC1=CC=C(C=C1)OC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2NO3/c1-19-10-3-5-11(6-4-10)20-14(18)17-9-2-7-12(15)13(16)8-9/h2-8H,1H3,(H,17,18)
InChIKey
ZUMRRXOFNPWKJR-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.0116 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01888 164.4
[M+Na]+ 334.00082 174.1
[M-H]- 310.00432 171.1
[M+NH4]+ 329.04542 180.5
[M+K]+ 349.97476 168.8
[M+H-H2O]+ 294.00886 158.6
[M+HCOO]- 356.00980 180.1
[M+CH3COO]- 370.02545 203.3
[M+Na-2H]- 331.98627 168.4
[M]+ 311.01105 170.4
[M]- 311.01215 170.4
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