CID 53900456

4-bromobut-3-en-1-ol

Structural Information

Molecular Formula
C4H7BrO
SMILES
C(CO)C=CBr
InChI
InChI=1S/C4H7BrO/c5-3-1-2-4-6/h1,3,6H,2,4H2
InChIKey
HWSVHRDXHIRTMJ-UHFFFAOYSA-N
Compound name
4-bromobut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

149.96803 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.97531 122.9
[M+Na]+ 172.95725 134.3
[M-H]- 148.96075 124.9
[M+NH4]+ 168.00185 147.0
[M+K]+ 188.93119 123.8
[M+H-H2O]+ 132.96529 124.3
[M+HCOO]- 194.96623 143.7
[M+CH3COO]- 208.98188 170.3
[M+Na-2H]- 170.94270 131.6
[M]+ 149.96748 140.5
[M]- 149.96858 140.5
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