CID 3048742

63967-13-5

Structural Information

Molecular Formula
C16H15Cl2NO3
SMILES
C1=CC=C(C=C1)NC(=O)OC(COC2=CC(=CC=C2)Cl)CCl
InChI
InChI=1S/C16H15Cl2NO3/c17-10-15(11-21-14-8-4-5-12(18)9-14)22-16(20)19-13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H,19,20)
InChIKey
VBNIDZJAWMRCGI-UHFFFAOYSA-N
Compound name
[1-chloro-3-(3-chlorophenoxy)propan-2-yl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0429 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.05018 173.4
[M+Na]+ 362.03212 180.1
[M-H]- 338.03562 179.0
[M+NH4]+ 357.07672 187.7
[M+K]+ 378.00606 174.7
[M+H-H2O]+ 322.04016 166.8
[M+HCOO]- 384.04110 187.5
[M+CH3COO]- 398.05675 207.6
[M+Na-2H]- 360.01757 176.6
[M]+ 339.04235 178.8
[M]- 339.04345 178.8
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.