CID 117275421

2,3,5,6-tetrafluoro-4-formylbenzoic acid

Structural Information

Molecular Formula
C8H2F4O3
SMILES
C(=O)C1=C(C(=C(C(=C1F)F)C(=O)O)F)F
InChI
InChI=1S/C8H2F4O3/c9-4-2(1-13)5(10)7(12)3(6(4)11)8(14)15/h1H,(H,14,15)
InChIKey
ACBNSMCHGKYMKE-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-4-formylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.00128 152.4
[M+Na]+ 244.98322 160.7
[M+NH4]+ 240.02782 155.8
[M+K]+ 260.95716 156.5
[M-H]- 220.98672 147.2
[M+Na-2H]- 242.96867 153.5
[M]+ 221.99345 151.6
[M]- 221.99455 151.6
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.