CID 129919117

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

172.06998 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe