CID 13300551

2,2-difluoro-3-methylbut-3-en-1-ol

Structural Information

Molecular Formula
C5H8F2O
SMILES
CC(=C)C(CO)(F)F
InChI
InChI=1S/C5H8F2O/c1-4(2)5(6,7)3-8/h8H,1,3H2,2H3
InChIKey
FVOBCUWMZOEZAI-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-methylbut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

122.05432 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.061596 121.0
[M+Na]+ 145.043538 128.8
[M-H]- 121.047044 117.6
[M+NH4]+ 140.088143 142.7
[M+K]+ 161.017478 127.8
[M+H-H2O]+ 105.051580 115.9
[M+HCOO]- 167.052521 139.4
[M+CH3COO]- 181.068171 169.1
[M+Na-2H]- 143.028986 126.4
[M]+ 122.05377142 117.1
[M]- 122.05486858 117.1
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