CID 17838050

2,6-difluoro-4-methylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

367
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 121.7
[M+Na]+ 167.02789 132.5
[M-H]- 143.03139 122.6
[M+NH4]+ 162.07249 143.3
[M+K]+ 183.00183 129.9
[M+H-H2O]+ 127.03593 115.6
[M+HCOO]- 189.03687 143.6
[M+CH3COO]- 203.05252 173.5
[M+Na-2H]- 165.01334 127.4
[M]+ 144.03812 119.3
[M]- 144.03922 119.3
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