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

0
Patents

311.0116 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.018876 164.4
[M+Na]+ 334.000818 174.1
[M-H]- 310.004324 171.1
[M+NH4]+ 329.045423 180.5
[M+K]+ 349.974758 168.8
[M+H-H2O]+ 294.008860 158.6
[M+HCOO]- 356.009801 180.1
[M+CH3COO]- 370.025451 203.3
[M+Na-2H]- 331.986266 168.4
[M]+ 311.01105142 170.4
[M]- 311.01214858 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