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

318
Patents

135.95238 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.959656 118.8
[M+Na]+ 158.941598 130.3
[M-H]- 134.945104 121.1
[M+NH4]+ 153.986203 143.3
[M+K]+ 174.915538 120.4
[M+H-H2O]+ 118.949640 120.4
[M+HCOO]- 180.950581 139.0
[M+CH3COO]- 194.966231 168.9
[M+Na-2H]- 156.927046 126.8
[M]+ 135.95183142 135.6
[M]- 135.95292858 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

literature stripe

Patent stripe

patents stripe