CID 4459076

2-(2,4-dichlorophenoxy)ethyl n-(m-tolyl)carbamate

Structural Information

Molecular Formula
C16H15Cl2NO3
SMILES
CC1=CC(=CC=C1)NC(=O)OCCOC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H15Cl2NO3/c1-11-3-2-4-13(9-11)19-16(20)22-8-7-21-15-6-5-12(17)10-14(15)18/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKey
XBJTXRXYHYGZIO-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)ethyl N-(3-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

339.0429 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.05018 173.7
[M+Na]+ 362.03212 182.5
[M-H]- 338.03562 179.9
[M+NH4]+ 357.07672 188.6
[M+K]+ 378.00606 176.8
[M+H-H2O]+ 322.04016 167.4
[M+HCOO]- 384.04110 188.7
[M+CH3COO]- 398.05675 209.1
[M+Na-2H]- 360.01757 176.5
[M]+ 339.04235 180.4
[M]- 339.04345 180.4
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