CID 32381

1,2-dibromoethyl acetate

Structural Information

Molecular Formula
C4H6Br2O2
SMILES
CC(=O)OC(CBr)Br
InChI
InChI=1S/C4H6Br2O2/c1-3(7)8-4(6)2-5/h4H,2H2,1H3
InChIKey
UXPDRIMBYCEVCO-UHFFFAOYSA-N
Compound name
1,2-dibromoethyl acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

135
Patents

243.87344 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.880716 130.3
[M+Na]+ 266.862658 140.9
[M-H]- 242.866164 134.6
[M+NH4]+ 261.907263 151.0
[M+K]+ 282.836598 126.7
[M+H-H2O]+ 226.870700 138.4
[M+HCOO]- 288.871641 145.7
[M+CH3COO]- 302.887291 195.4
[M+Na-2H]- 264.848106 136.9
[M]+ 243.87289142 164.7
[M]- 243.87398858 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe