CID 2774152

2,6-difluoro-3-methylphenol

Structural Information

Molecular Formula
C7H6F2O
SMILES
CC1=C(C(=C(C=C1)F)O)F
InChI
InChI=1S/C7H6F2O/c1-4-2-3-5(8)7(10)6(4)9/h2-3,10H,1H3
InChIKey
YKCLAAQQWYPEDW-UHFFFAOYSA-N
Compound name
2,6-difluoro-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

144.03867 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04595 127.8
[M+Na]+ 167.02789 140.0
[M+NH4]+ 162.07249 135.5
[M+K]+ 183.00183 133.9
[M-H]- 143.03139 127.2
[M+Na-2H]- 165.01334 133.5
[M]+ 144.03812 129.2
[M]- 144.03922 129.2
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