CID 4610554

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

Structural Information

Molecular Formula
C9H8BrCl2NO2
SMILES
C1=CC(=C(C=C1NC(=O)OCCBr)Cl)Cl
InChI
InChI=1S/C9H8BrCl2NO2/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
VRXAHHJWUGRFFJ-UHFFFAOYSA-N
Compound name
2-bromoethyl N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.91156 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.91884 155.5
[M+Na]+ 333.90078 159.7
[M+NH4]+ 328.94538 160.2
[M+K]+ 349.87472 158.4
[M-H]- 309.90428 156.0
[M+Na-2H]- 331.88623 158.7
[M]+ 310.91101 155.5
[M]- 310.91211 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.