CID 23235342

2,6-difluorobenzene-1,4-dicarboxylic acid

Structural Information

Molecular Formula
C8H4F2O4
SMILES
C1=C(C=C(C(=C1F)C(=O)O)F)C(=O)O
InChI
InChI=1S/C8H4F2O4/c9-4-1-3(7(11)12)2-5(10)6(4)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKey
OHLHLWHVHGVUCU-UHFFFAOYSA-N
Compound name
2,6-difluoroterephthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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 133.5
[M+Na]+ 224.996988 143.2
[M-H]- 201.000494 132.8
[M+NH4]+ 220.041593 151.4
[M+K]+ 240.970928 140.8
[M+H-H2O]+ 185.005030 126.9
[M+HCOO]- 247.005971 152.5
[M+CH3COO]- 261.021621 180.5
[M+Na-2H]- 222.982436 135.6
[M]+ 202.00722142 131.2
[M]- 202.00831858 131.2
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