CID 282318

2-chloroethyl n-(3,4-dichlorophenyl)carbamate

Structural Information

Molecular Formula
C9H8Cl3NO2
SMILES
C1=CC(=C(C=C1NC(=O)OCCCl)Cl)Cl
InChI
InChI=1S/C9H8Cl3NO2/c10-3-4-15-9(14)13-6-1-2-7(11)8(12)5-6/h1-2,5H,3-4H2,(H,13,14)
InChIKey
COVIXHVKKNORKM-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.96207 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.96935 151.1
[M+Na]+ 289.95129 160.6
[M-H]- 265.95479 153.3
[M+NH4]+ 284.99589 169.0
[M+K]+ 305.92523 155.2
[M+H-H2O]+ 249.95933 147.8
[M+HCOO]- 311.96027 161.2
[M+CH3COO]- 325.97592 194.9
[M+Na-2H]- 287.93674 154.6
[M]+ 266.96152 155.5
[M]- 266.96262 155.5
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.