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

3
Patents

122.05432 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06160 121.0
[M+Na]+ 145.04354 128.8
[M-H]- 121.04704 117.6
[M+NH4]+ 140.08814 142.7
[M+K]+ 161.01748 127.8
[M+H-H2O]+ 105.05158 115.9
[M+HCOO]- 167.05252 139.4
[M+CH3COO]- 181.06817 169.1
[M+Na-2H]- 143.02899 126.4
[M]+ 122.05377 117.1
[M]- 122.05487 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