CID 11137505

1-bromoethyl acetate

Structural Information

Molecular Formula
C4H7BrO2
SMILES
CC(OC(=O)C)Br
InChI
InChI=1S/C4H7BrO2/c1-3(5)7-4(2)6/h3H,1-2H3
InChIKey
IIASCQBFNHWZBE-UHFFFAOYSA-N
Compound name
1-bromoethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2411
Patents

165.96294 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.97022 125.4
[M+Na]+ 188.95216 136.8
[M-H]- 164.95566 128.9
[M+NH4]+ 183.99676 149.5
[M+K]+ 204.92610 128.3
[M+H-H2O]+ 148.96020 126.5
[M+HCOO]- 210.96114 146.1
[M+CH3COO]- 224.97679 176.3
[M+Na-2H]- 186.93761 132.2
[M]+ 165.96239 145.0
[M]- 165.96349 145.0
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