CID 23237843

762292-74-0

Structural Information

Molecular Formula
C8H7F3O
SMILES
C1=CC(=CC=C1C(CO)(F)F)F
InChI
InChI=1S/C8H7F3O/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-4,12H,5H2
InChIKey
XGRLFKUJAPXWHO-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(4-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

176.0449 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.052176 130.6
[M+Na]+ 199.034118 139.6
[M-H]- 175.037624 129.4
[M+NH4]+ 194.078723 150.3
[M+K]+ 215.008058 136.7
[M+H-H2O]+ 159.042160 123.4
[M+HCOO]- 221.043101 149.5
[M+CH3COO]- 235.058751 177.5
[M+Na-2H]- 197.019566 137.1
[M]+ 176.04435142 126.1
[M]- 176.04544858 126.1
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