CID 47350

1-bromo-3-buten-2-ol

Structural Information

Molecular Formula
C4H7BrO
SMILES
C=CC(CBr)O
InChI
InChI=1S/C4H7BrO/c1-2-4(6)3-5/h2,4,6H,1,3H2
InChIKey
PDAWHBQDMPNZQI-UHFFFAOYSA-N
Compound name
1-bromobut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
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 123.4
[M+Na]+ 172.95725 124.9
[M+NH4]+ 168.00185 128.0
[M+K]+ 188.93119 125.9
[M-H]- 148.96075 121.5
[M+Na-2H]- 170.94270 124.7
[M]+ 149.96748 121.7
[M]- 149.96858 121.7
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