CID 210402

21239-68-9

Structural Information

Molecular Formula
C12H17FO2
SMILES
CC(C)(CC(C)(C1=CC=C(C=C1)F)O)O
InChI
InChI=1S/C12H17FO2/c1-11(2,14)8-12(3,15)9-4-6-10(13)7-5-9/h4-7,14-15H,8H2,1-3H3
InChIKey
AOLRDGPKSPZUDT-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-4-methylpentane-2,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.12126 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12854 147.2
[M+Na]+ 235.11048 154.3
[M-H]- 211.11398 147.0
[M+NH4]+ 230.15508 164.9
[M+K]+ 251.08442 151.4
[M+H-H2O]+ 195.11852 141.8
[M+HCOO]- 257.11946 164.0
[M+CH3COO]- 271.13511 183.9
[M+Na-2H]- 233.09593 153.1
[M]+ 212.12071 145.5
[M]- 212.12181 145.5
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.