CID 2737079

2,3-difluoro-4-(trifluoromethyl)benzyl alcohol

Structural Information

Molecular Formula
C8H5F5O
SMILES
C1=CC(=C(C(=C1CO)F)F)C(F)(F)F
InChI
InChI=1S/C8H5F5O/c9-6-4(3-14)1-2-5(7(6)10)8(11,12)13/h1-2,14H,3H2
InChIKey
YDHLVDCBIBCSPA-UHFFFAOYSA-N
Compound name
[2,3-difluoro-4-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

212.02606 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03334 154.7
[M+Na]+ 235.01528 161.8
[M+NH4]+ 230.05988 158.3
[M+K]+ 250.98922 157.1
[M-H]- 211.01878 149.2
[M+Na-2H]- 233.00073 156.4
[M]+ 212.02551 153.8
[M]- 212.02661 153.8
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

patents stripe