CID 79757

2-fluoro-2-propen-1-ol

Structural Information

Molecular Formula
C3H5FO
SMILES
C=C(CO)F
InChI
InChI=1S/C3H5FO/c1-3(4)2-5/h5H,1-2H2
InChIKey
XEIHLEMBJXRLEI-UHFFFAOYSA-N
Compound name
2-fluoroprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

129
Patents

76.03244 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.039716 109.7
[M+Na]+ 99.021658 117.8
[M-H]- 75.025164 107.8
[M+NH4]+ 94.066263 133.2
[M+K]+ 114.99560 117.5
[M+H-H2O]+ 59.029700 105.4
[M+HCOO]- 121.03064 131.4
[M+CH3COO]- 135.04629 160.0
[M+Na-2H]- 97.007106 116.2
[M]+ 76.031891 106.8
[M]- 76.032989 106.8
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