CID 45120068

445004-25-1

Structural Information

Molecular Formula
C9H8F2O
SMILES
CC(=C)C1=C(C(=C(C=C1)O)F)F
InChI
InChI=1S/C9H8F2O/c1-5(2)6-3-4-7(12)9(11)8(6)10/h3-4,12H,1H2,2H3
InChIKey
USYNLVPAHQNZMT-UHFFFAOYSA-N
Compound name
2,3-difluoro-4-prop-1-en-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05432 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.061596 129.7
[M+Na]+ 193.043538 139.6
[M-H]- 169.047044 130.3
[M+NH4]+ 188.088143 150.1
[M+K]+ 209.017478 136.4
[M+H-H2O]+ 153.051580 123.3
[M+HCOO]- 215.052521 150.1
[M+CH3COO]- 229.068171 179.6
[M+Na-2H]- 191.028986 133.1
[M]+ 170.05377142 126.7
[M]- 170.05486858 126.7
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.