CID 520425

2928-17-8

Structural Information

Molecular Formula
C10H13FO
SMILES
CC(C)(CC1=CC=C(C=C1)F)O
InChI
InChI=1S/C10H13FO/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
InChIKey
DWRIANGNJXQAAT-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

168.09505 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.102326 134.4
[M+Na]+ 191.084268 142.5
[M-H]- 167.087774 135.7
[M+NH4]+ 186.128873 154.7
[M+K]+ 207.058208 139.9
[M+H-H2O]+ 151.092310 128.8
[M+HCOO]- 213.093251 154.8
[M+CH3COO]- 227.108901 177.9
[M+Na-2H]- 189.069716 141.0
[M]+ 168.09450142 133.0
[M]- 168.09559858 133.0
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