CID 62669138

1-[4-(trifluoromethyl)phenyl]cyclopropan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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

literature stripe

Patent stripe

patents stripe