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

1987
Patents

186.01285 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02013 128.9
[M+Na]+ 209.00207 140.5
[M-H]- 185.00557 133.1
[M+NH4]+ 204.04667 151.2
[M+K]+ 224.97601 140.4
[M+H-H2O]+ 169.01011 123.3
[M+HCOO]- 231.01105 149.9
[M+CH3COO]- 245.02670 178.7
[M+Na-2H]- 206.98752 138.0
[M]+ 186.01230 130.3
[M]- 186.01340 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