CID 98104

1-cyclopropyl-1-(4-fluorophenyl)ethanol

Structural Information

Molecular Formula
C11H13FO
SMILES
CC(C1CC1)(C2=CC=C(C=C2)F)O
InChI
InChI=1S/C11H13FO/c1-11(13,8-2-3-8)9-4-6-10(12)7-5-9/h4-8,13H,2-3H2,1H3
InChIKey
KTXSJDVWEXYQPK-UHFFFAOYSA-N
Compound name
1-cyclopropyl-1-(4-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

180.09505 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10233 143.3
[M+Na]+ 203.08427 156.1
[M+NH4]+ 198.12887 152.1
[M+K]+ 219.05821 151.5
[M-H]- 179.08777 151.5
[M+Na-2H]- 201.06972 152.6
[M]+ 180.09450 148.6
[M]- 180.09560 148.6
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

patents stripe