CID 10866525

52467-65-9

Structural Information

Molecular Formula
C4H7BrO
SMILES
C/C=C(/CO)\Br
InChI
InChI=1S/C4H7BrO/c1-2-4(5)3-6/h2,6H,3H2,1H3/b4-2-
InChIKey
OFRPQMBABOBXKG-RQOWECAXSA-N
Compound name
(Z)-2-bromobut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

149.96803 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.97531 123.7
[M+Na]+ 172.95725 134.9
[M-H]- 148.96075 125.8
[M+NH4]+ 168.00185 147.7
[M+K]+ 188.93119 124.7
[M+H-H2O]+ 132.96529 125.1
[M+HCOO]- 194.96623 143.6
[M+CH3COO]- 208.98188 171.1
[M+Na-2H]- 170.94270 131.1
[M]+ 149.96748 140.7
[M]- 149.96858 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe