CID 19816187

1-[3-(trifluoromethyl)phenyl]cyclopropan-1-ol

Structural Information

Molecular Formula
C10H9F3O
SMILES
C1CC1(C2=CC(=CC=C2)C(F)(F)F)O
InChI
InChI=1S/C10H9F3O/c11-10(12,13)8-3-1-2-7(6-8)9(14)4-5-9/h1-3,6,14H,4-5H2
InChIKey
ZDFBWLDHZUETCD-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.06055 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.067826 133.0
[M+Na]+ 225.049768 143.5
[M-H]- 201.053274 136.1
[M+NH4]+ 220.094373 148.7
[M+K]+ 241.023708 140.4
[M+H-H2O]+ 185.057810 125.6
[M+HCOO]- 247.058751 151.6
[M+CH3COO]- 261.074401 184.2
[M+Na-2H]- 223.035216 140.4
[M]+ 202.06000142 130.9
[M]- 202.06109858 130.9
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