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

70
Patents

144.03867 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.045946 121.7
[M+Na]+ 167.027888 132.5
[M-H]- 143.031394 122.6
[M+NH4]+ 162.072493 143.3
[M+K]+ 183.001828 129.9
[M+H-H2O]+ 127.035930 115.6
[M+HCOO]- 189.036871 143.6
[M+CH3COO]- 203.052521 173.5
[M+Na-2H]- 165.013336 127.4
[M]+ 144.03812142 119.3
[M]- 144.03921858 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