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]+ 171.06160 129.7
[M+Na]+ 193.04354 139.6
[M-H]- 169.04704 130.3
[M+NH4]+ 188.08814 150.1
[M+K]+ 209.01748 136.4
[M+H-H2O]+ 153.05158 123.3
[M+HCOO]- 215.05252 150.1
[M+CH3COO]- 229.06817 179.6
[M+Na-2H]- 191.02899 133.1
[M]+ 170.05377 126.7
[M]- 170.05487 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.