CID 11116541

126120-86-3

Structural Information

Molecular Formula
C7H4F2O3
SMILES
C1=CC(=C2C(=C1)OC(O2)(F)F)O
InChI
InChI=1S/C7H4F2O3/c8-7(9)11-5-3-1-2-4(10)6(5)12-7/h1-3,10H
InChIKey
RZLKNZQTCHZQNT-UHFFFAOYSA-N
Compound name
2,2-difluoro-1,3-benzodioxol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

174.01285 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.020126 126.0
[M+Na]+ 197.002068 137.3
[M-H]- 173.005574 129.0
[M+NH4]+ 192.046673 148.2
[M+K]+ 212.976008 137.2
[M+H-H2O]+ 157.010110 120.8
[M+HCOO]- 219.011051 145.7
[M+CH3COO]- 233.026701 173.9
[M+Na-2H]- 194.987516 135.2
[M]+ 174.01230142 126.0
[M]- 174.01339858 126.0
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

patents stripe