CID 84648928

2,4-difluoro-5-methylphenol

Structural Information

Molecular Formula
C7H6F2O
SMILES
CC1=CC(=C(C=C1F)F)O
InChI
InChI=1S/C7H6F2O/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,1H3
InChIKey
PIZJQSMUUZODED-UHFFFAOYSA-N
Compound name
2,4-difluoro-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
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

No literature data available for this compound.

Patent stripe

patents stripe