CID 21907447

1-bromo-3-fluoropropan-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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

No literature data available for this compound.

Patent stripe

patents stripe