CID 21074822

1-(3-(trifluoromethyl)phenyl)prop-2-en-1-ol

Structural Information

Molecular Formula
C10H9F3O
SMILES
C=CC(C1=CC(=CC=C1)C(F)(F)F)O
InChI
InChI=1S/C10H9F3O/c1-2-9(14)7-4-3-5-8(6-7)10(11,12)13/h2-6,9,14H,1H2
InChIKey
VPNIIUJZYAYFND-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

202.06055 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06783 138.7
[M+Na]+ 225.04977 147.0
[M-H]- 201.05327 137.3
[M+NH4]+ 220.09437 157.3
[M+K]+ 241.02371 143.4
[M+H-H2O]+ 185.05781 131.3
[M+HCOO]- 247.05875 156.1
[M+CH3COO]- 261.07440 182.7
[M+Na-2H]- 223.03522 142.9
[M]+ 202.06000 133.5
[M]- 202.06110 133.5
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