CID 446627

2-bromoallyl alcohol

Structural Information

Molecular Formula
C3H5BrO
SMILES
C=C(CO)Br
InChI
InChI=1S/C3H5BrO/c1-3(4)2-5/h5H,1-2H2
InChIKey
MDFFZNIQPLKQSG-UHFFFAOYSA-N
Compound name
2-bromoprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

317
Patents

135.95238 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.95966 118.8
[M+Na]+ 158.94160 130.3
[M-H]- 134.94510 121.1
[M+NH4]+ 153.98620 143.3
[M+K]+ 174.91554 120.4
[M+H-H2O]+ 118.94964 120.4
[M+HCOO]- 180.95058 139.0
[M+CH3COO]- 194.96623 168.9
[M+Na-2H]- 156.92705 126.8
[M]+ 135.95183 135.6
[M]- 135.95293 135.6
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

No patent data available for this compound.