CID 15085378

1,1-difluoro-3-phenylpropan-2-ol

Structural Information

Molecular Formula
C9H10F2O
SMILES
C1=CC=C(C=C1)CC(C(F)F)O
InChI
InChI=1S/C9H10F2O/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6H2
InChIKey
BGEYWCYUHPALBR-UHFFFAOYSA-N
Compound name
1,1-difluoro-3-phenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.06998 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.077256 133.7
[M+Na]+ 195.059198 140.2
[M-H]- 171.062704 133.1
[M+NH4]+ 190.103803 153.0
[M+K]+ 211.033138 138.0
[M+H-H2O]+ 155.067240 126.5
[M+HCOO]- 217.068181 152.9
[M+CH3COO]- 231.083831 177.9
[M+Na-2H]- 193.044646 137.7
[M]+ 172.06943142 129.5
[M]- 172.07052858 129.5
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.