CID 178244234

2,4-difluoro-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one

Structural Information

Molecular Formula
C7H6F2O2
SMILES
CC1C=C(C(=C(C1=O)F)O)F
InChI
InChI=1S/C7H6F2O2/c1-3-2-4(8)7(11)5(9)6(3)10/h2-3,11H,1H3
InChIKey
USTXVQSBGKASSJ-UHFFFAOYSA-N
Compound name
2,4-difluoro-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.03358 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.040856 124.7
[M+Na]+ 183.022798 135.6
[M-H]- 159.026304 125.6
[M+NH4]+ 178.067403 145.8
[M+K]+ 198.996738 133.2
[M+H-H2O]+ 143.030840 118.7
[M+HCOO]- 205.031781 145.5
[M+CH3COO]- 219.047431 176.3
[M+Na-2H]- 181.008246 128.8
[M]+ 160.03303142 122.0
[M]- 160.03412858 122.0
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

No patent data available for this compound.