CID 245598

Isopropyl n-(2,3-dichlorophenyl)carbamate

Structural Information

Molecular Formula
C10H11Cl2NO2
SMILES
CC(C)OC(=O)NC1=C(C(=CC=C1)Cl)Cl
InChI
InChI=1S/C10H11Cl2NO2/c1-6(2)15-10(14)13-8-5-3-4-7(11)9(8)12/h3-6H,1-2H3,(H,13,14)
InChIKey
UXEAHIFQYGDANS-UHFFFAOYSA-N
Compound name
propan-2-yl N-(2,3-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.01668 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.02396 149.3
[M+Na]+ 270.00590 158.3
[M-H]- 246.00940 152.8
[M+NH4]+ 265.05050 168.1
[M+K]+ 285.97984 154.1
[M+H-H2O]+ 230.01394 145.4
[M+HCOO]- 292.01488 163.8
[M+CH3COO]- 306.03053 193.4
[M+Na-2H]- 267.99135 152.3
[M]+ 247.01613 153.6
[M]- 247.01723 153.6
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

No patent data available for this compound.