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

0
Patents

202.06055 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06783 133.0
[M+Na]+ 225.04977 143.5
[M-H]- 201.05327 136.1
[M+NH4]+ 220.09437 148.7
[M+K]+ 241.02371 140.4
[M+H-H2O]+ 185.05781 125.6
[M+HCOO]- 247.05875 151.6
[M+CH3COO]- 261.07440 184.2
[M+Na-2H]- 223.03522 140.4
[M]+ 202.06000 130.9
[M]- 202.06110 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