CID 348501

2-chloroethyl n-(5-chloro-2-methylphenyl)carbamate

Structural Information

Molecular Formula
C10H11Cl2NO2
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)OCCCl
InChI
InChI=1S/C10H11Cl2NO2/c1-7-2-3-8(12)6-9(7)13-10(14)15-5-4-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKey
YUPIXJUDRWJLGJ-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(5-chloro-2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.01668 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.02396 149.8
[M+Na]+ 270.00590 159.0
[M-H]- 246.00940 153.1
[M+NH4]+ 265.05050 168.6
[M+K]+ 285.97984 154.3
[M+H-H2O]+ 230.01394 145.6
[M+HCOO]- 292.01488 165.1
[M+CH3COO]- 306.03053 192.5
[M+Na-2H]- 267.99135 153.9
[M]+ 247.01613 154.6
[M]- 247.01723 154.6
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.