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

543
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 124.4
[M+Na]+ 188.95216 125.7
[M+NH4]+ 183.99676 128.8
[M+K]+ 204.92610 127.7
[M-H]- 164.95566 122.3
[M+Na-2H]- 186.93761 125.6
[M]+ 165.96239 122.6
[M]- 165.96349 122.6
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