CID 608772

656-46-2

Structural Information

Molecular Formula
C8H4F2O4
SMILES
C1=CC2=C(C=C1C(=O)O)OC(O2)(F)F
InChI
InChI=1S/C8H4F2O4/c9-8(10)13-5-2-1-4(7(11)12)3-6(5)14-8/h1-3H,(H,11,12)
InChIKey
VJLDRFCNFNQTTH-UHFFFAOYSA-N
Compound name
2,2-difluoro-1,3-benzodioxole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

830
Patents

202.00777 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01505 133.1
[M+Na]+ 224.99699 143.9
[M-H]- 201.00049 136.0
[M+NH4]+ 220.04159 153.9
[M+K]+ 240.97093 143.9
[M+H-H2O]+ 185.00503 127.8
[M+HCOO]- 247.00597 151.8
[M+CH3COO]- 261.02162 179.2
[M+Na-2H]- 222.98244 140.6
[M]+ 202.00722 133.6
[M]- 202.00832 133.6
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.