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

837
Patents

202.00777 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.015046 133.1
[M+Na]+ 224.996988 143.9
[M-H]- 201.000494 136.0
[M+NH4]+ 220.041593 153.9
[M+K]+ 240.970928 143.9
[M+H-H2O]+ 185.005030 127.8
[M+HCOO]- 247.005971 151.8
[M+CH3COO]- 261.021621 179.2
[M+Na-2H]- 222.982436 140.6
[M]+ 202.00722142 133.6
[M]- 202.00831858 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

literature stripe

Patent stripe

patents stripe