CID 69563

2,5-difluoroterephthalic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
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 133.5
[M+Na]+ 224.99699 143.2
[M-H]- 201.00049 132.8
[M+NH4]+ 220.04159 151.4
[M+K]+ 240.97093 140.8
[M+H-H2O]+ 185.00503 126.9
[M+HCOO]- 247.00597 152.5
[M+CH3COO]- 261.02162 180.5
[M+Na-2H]- 222.98244 135.6
[M]+ 202.00722 131.2
[M]- 202.00832 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

literature stripe

Patent stripe

patents stripe