CID 52314

73728-62-8

Structural Information

Molecular Formula
C12H15FO
SMILES
CC1(CC1)C(C)(C2=CC=C(C=C2)F)O
InChI
InChI=1S/C12H15FO/c1-11(7-8-11)12(2,14)9-3-5-10(13)6-4-9/h3-6,14H,7-8H2,1-2H3
InChIKey
FLIITYURLNJSDL-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-1-(1-methylcyclopropyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11069 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11797 138.3
[M+Na]+ 217.09991 147.9
[M-H]- 193.10341 143.8
[M+NH4]+ 212.14451 154.5
[M+K]+ 233.07385 145.2
[M+H-H2O]+ 177.10795 132.6
[M+HCOO]- 239.10889 158.3
[M+CH3COO]- 253.12454 185.3
[M+Na-2H]- 215.08536 145.7
[M]+ 194.11014 139.3
[M]- 194.11124 139.3
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.