CID 130067567

1821837-52-8

Structural Information

Molecular Formula
C8H7F3O
SMILES
C1=CC=C(C(=C1)[C@H](C(F)F)O)F
InChI
InChI=1S/C8H7F3O/c9-6-4-2-1-3-5(6)7(12)8(10)11/h1-4,7-8,12H/t7-/m1/s1
InChIKey
BXVALZSTVIPGEJ-SSDOTTSWSA-N
Compound name
(1R)-2,2-difluoro-1-(2-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.0449 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.052176 131.0
[M+Na]+ 199.034118 138.9
[M-H]- 175.037624 129.6
[M+NH4]+ 194.078723 150.3
[M+K]+ 215.008058 136.5
[M+H-H2O]+ 159.042160 123.2
[M+HCOO]- 221.043101 149.4
[M+CH3COO]- 235.058751 178.8
[M+Na-2H]- 197.019566 134.3
[M]+ 176.04435142 125.6
[M]- 176.04544858 125.6
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

No patent data available for this compound.