CID 74103

2,2-difluoro-1,3-benzodioxole

Structural Information

Molecular Formula
C7H4F2O2
SMILES
C1=CC=C2C(=C1)OC(O2)(F)F
InChI
InChI=1S/C7H4F2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H
InChIKey
DGCOGZQDAXUUBY-UHFFFAOYSA-N
Compound name
2,2-difluoro-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3743
Patents

158.01793 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02521 122.7
[M+Na]+ 181.00715 133.6
[M-H]- 157.01065 126.7
[M+NH4]+ 176.05175 146.1
[M+K]+ 196.98109 133.9
[M+H-H2O]+ 141.01519 117.1
[M+HCOO]- 203.01613 143.8
[M+CH3COO]- 217.03178 138.1
[M+Na-2H]- 178.99260 132.9
[M]+ 158.01738 122.7
[M]- 158.01848 122.7
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.