CID 82254330

1-[4-chloro-2-(trifluoromethyl)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C9H8ClF3O
SMILES
CC(C1=C(C=C(C=C1)Cl)C(F)(F)F)O
InChI
InChI=1S/C9H8ClF3O/c1-5(14)7-3-2-6(10)4-8(7)9(11,12)13/h2-5,14H,1H3
InChIKey
YMIIJNNITQEKND-UHFFFAOYSA-N
Compound name
1-[4-chloro-2-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02158 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.028856 139.2
[M+Na]+ 247.010798 149.3
[M-H]- 223.014304 138.2
[M+NH4]+ 242.055403 158.2
[M+K]+ 262.984738 144.6
[M+H-H2O]+ 207.018840 132.9
[M+HCOO]- 269.019781 152.3
[M+CH3COO]- 283.035431 185.6
[M+Na-2H]- 244.996246 143.0
[M]+ 224.02103142 136.8
[M]- 224.02212858 136.8
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

No patent data available for this compound.