CID 2736970

2,2-difluoro-1,3-benzodioxole-4-carboxaldehyde

Structural Information

Molecular Formula
C8H4F2O3
SMILES
C1=CC(=C2C(=C1)OC(O2)(F)F)C=O
InChI
InChI=1S/C8H4F2O3/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-4H
InChIKey
NIBFJPXGNVPNHK-UHFFFAOYSA-N
Compound name
2,2-difluoro-1,3-benzodioxole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2112
Patents

186.01285 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.020126 128.9
[M+Na]+ 209.002068 140.5
[M-H]- 185.005574 133.1
[M+NH4]+ 204.046673 151.2
[M+K]+ 224.976008 140.4
[M+H-H2O]+ 169.010110 123.3
[M+HCOO]- 231.011051 149.9
[M+CH3COO]- 245.026701 178.7
[M+Na-2H]- 206.987516 138.0
[M]+ 186.01230142 130.3
[M]- 186.01339858 130.3
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