CID 46311722

3-(difluoromethyl)-5-fluorophenol

Structural Information

Molecular Formula
C7H5F3O
SMILES
C1=C(C=C(C=C1O)F)C(F)F
InChI
InChI=1S/C7H5F3O/c8-5-1-4(7(9)10)2-6(11)3-5/h1-3,7,11H
InChIKey
YTWLWSDZTXVTLG-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-5-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

162.02925 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03653 134.3
[M+Na]+ 185.01847 144.3
[M+NH4]+ 180.06307 140.7
[M+K]+ 200.99241 139.0
[M-H]- 161.02197 131.8
[M+Na-2H]- 183.00392 138.7
[M]+ 162.02870 134.7
[M]- 162.02980 134.7
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