CID 14364400

3-bromo-2-fluoropropan-1-ol

Structural Information

Molecular Formula
C3H6BrFO
SMILES
C(C(CBr)F)O
InChI
InChI=1S/C3H6BrFO/c4-1-3(5)2-6/h3,6H,1-2H2
InChIKey
HJPIXHRDTUXVJH-UHFFFAOYSA-N
Compound name
3-bromo-2-fluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

518
Patents

155.9586 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.96588 124.2
[M+Na]+ 178.94782 135.3
[M-H]- 154.95132 125.0
[M+NH4]+ 173.99242 147.9
[M+K]+ 194.92176 125.5
[M+H-H2O]+ 138.95586 124.7
[M+HCOO]- 200.95680 143.2
[M+CH3COO]- 214.97245 172.3
[M+Na-2H]- 176.93327 131.3
[M]+ 155.95805 140.4
[M]- 155.95915 140.4
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