CID 14049932

2,2-difluoropent-4-en-1-ol

Structural Information

Molecular Formula
C5H8F2O
SMILES
C=CCC(CO)(F)F
InChI
InChI=1S/C5H8F2O/c1-2-3-5(6,7)4-8/h2,8H,1,3-4H2
InChIKey
RGUVXNXQTXWMTK-UHFFFAOYSA-N
Compound name
2,2-difluoropent-4-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

122.05432 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06160 121.1
[M+Na]+ 145.04354 129.1
[M-H]- 121.04704 117.7
[M+NH4]+ 140.08814 142.9
[M+K]+ 161.01748 127.7
[M+H-H2O]+ 105.05158 116.0
[M+HCOO]- 167.05252 140.5
[M+CH3COO]- 181.06817 168.3
[M+Na-2H]- 143.02899 127.7
[M]+ 122.05377 117.9
[M]- 122.05487 117.9
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

patents stripe