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 152.5
[M+Na]+ 333.90078 165.5
[M-H]- 309.90428 158.4
[M+NH4]+ 328.94538 172.4
[M+K]+ 349.87472 151.5
[M+H-H2O]+ 293.90882 153.6
[M+HCOO]- 355.90976 165.9
[M+CH3COO]- 369.92541 198.8
[M+Na-2H]- 331.88623 158.4
[M]+ 310.91101 174.8
[M]- 310.91211 174.8
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.