CID 53474118

2-(fluoromethyl)prop-2-en-1-ol

Structural Information

Molecular Formula
C4H7FO
SMILES
C=C(CO)CF
InChI
InChI=1S/C4H7FO/c1-4(2-5)3-6/h6H,1-3H2
InChIKey
PEAQVQKANADWAV-UHFFFAOYSA-N
Compound name
2-(fluoromethyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

90.048096 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.055372 114.4
[M+Na]+ 113.037314 122.1
[M-H]- 89.040820 112.3
[M+NH4]+ 108.081919 137.4
[M+K]+ 129.011254 121.5
[M+H-H2O]+ 73.045356 109.9
[M+HCOO]- 135.046297 135.7
[M+CH3COO]- 149.061947 163.0
[M+Na-2H]- 111.022762 120.3
[M]+ 90.04754742 111.9
[M]- 90.04864458 111.9
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.