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

3740
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

literature stripe

Patent stripe

patents stripe