CID 61147

Bromoacetyl bromide

Structural Information

Molecular Formula
C2H2Br2O
SMILES
C(C(=O)Br)Br
InChI
InChI=1S/C2H2Br2O/c3-1-2(4)5/h1H2
InChIKey
LSTRKXWIZZZYAS-UHFFFAOYSA-N
Compound name
2-bromoacetyl bromide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

14
References

16495
Patents

199.84724 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.854516 118.7
[M+Na]+ 222.836458 130.3
[M-H]- 198.839964 123.3
[M+NH4]+ 217.881063 140.8
[M+K]+ 238.810398 115.9
[M+H-H2O]+ 182.844500 127.4
[M+HCOO]- 244.845441 135.3
[M+CH3COO]- 258.861091 189.2
[M+Na-2H]- 220.821906 127.4
[M]+ 199.84669142 152.1
[M]- 199.84778858 152.1
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