CID 11390886

150698-81-0

Structural Information

Molecular Formula
C9H6F6O
SMILES
C1=CC(=CC=C1C(C(F)(F)F)O)C(F)(F)F
InChI
InChI=1S/C9H6F6O/c10-8(11,12)6-3-1-5(2-4-6)7(16)9(13,14)15/h1-4,7,16H
InChIKey
HGNBZXDFLLAPLI-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

244.03229 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.039566 143.8
[M+Na]+ 267.021508 152.8
[M-H]- 243.025014 138.8
[M+NH4]+ 262.066113 160.5
[M+K]+ 282.995448 149.2
[M+H-H2O]+ 227.029550 134.1
[M+HCOO]- 289.030491 156.4
[M+CH3COO]- 303.046141 189.2
[M+Na-2H]- 265.006956 147.4
[M]+ 244.03174142 134.3
[M]- 244.03283858 134.3
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