CID 6393046

2,3-dibromo-2-propen-1-ol

Structural Information

Molecular Formula
C3H4Br2O
SMILES
C(/C(=C/Br)/Br)O
InChI
InChI=1S/C3H4Br2O/c4-1-3(5)2-6/h1,6H,2H2/b3-1-
InChIKey
WMKYSVJWQJOFAN-IWQZZHSRSA-N
Compound name
(Z)-2,3-dibromoprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

213.86288 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.87016 124.5
[M+Na]+ 236.85210 135.4
[M-H]- 212.85560 127.9
[M+NH4]+ 231.89670 145.7
[M+K]+ 252.82604 119.9
[M+H-H2O]+ 196.86014 133.1
[M+HCOO]- 258.86108 139.7
[M+CH3COO]- 272.87673 188.9
[M+Na-2H]- 234.83755 132.2
[M]+ 213.86233 156.6
[M]- 213.86343 156.6
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