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

17
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 133.0
[M+Na]+ 203.08427 142.3
[M-H]- 179.08777 138.3
[M+NH4]+ 198.12887 147.8
[M+K]+ 219.05821 138.9
[M+H-H2O]+ 163.09231 126.4
[M+HCOO]- 225.09325 153.8
[M+CH3COO]- 239.10890 182.8
[M+Na-2H]- 201.06972 139.9
[M]+ 180.09450 133.2
[M]- 180.09560 133.2
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