CID 57446334

444921-50-0

Structural Information

Molecular Formula
C9H10F2O
SMILES
CC(C1=CC=CC(=C1)CO)(F)F
InChI
InChI=1S/C9H10F2O/c1-9(10,11)8-4-2-3-7(5-8)6-12/h2-5,12H,6H2,1H3
InChIKey
BETWVVGIVDAJKC-UHFFFAOYSA-N
Compound name
[3-(1,1-difluoroethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

172.06998 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.077256 132.6
[M+Na]+ 195.059198 141.1
[M-H]- 171.062704 132.6
[M+NH4]+ 190.103803 152.5
[M+K]+ 211.033138 138.3
[M+H-H2O]+ 155.067240 126.1
[M+HCOO]- 217.068181 152.2
[M+CH3COO]- 231.083831 177.6
[M+Na-2H]- 193.044646 139.1
[M]+ 172.06943142 129.6
[M]- 172.07052858 129.6
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