CID 2782513

3,5-dichloro-2,4,6-trifluorobenzoic acid

Structural Information

Molecular Formula
C7HCl2F3O2
SMILES
C1(=C(C(=C(C(=C1F)Cl)F)Cl)F)C(=O)O
InChI
InChI=1S/C7HCl2F3O2/c8-2-4(10)1(7(13)14)5(11)3(9)6(2)12/h(H,13,14)
InChIKey
WOGODDMTAFMNSE-UHFFFAOYSA-N
Compound name
3,5-dichloro-2,4,6-trifluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

243.93057 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.93785 133.2
[M+Na]+ 266.91979 146.8
[M-H]- 242.92329 132.6
[M+NH4]+ 261.96439 152.3
[M+K]+ 282.89373 140.9
[M+H-H2O]+ 226.92783 128.4
[M+HCOO]- 288.92877 144.0
[M+CH3COO]- 302.94442 189.4
[M+Na-2H]- 264.90524 134.9
[M]+ 243.93002 133.8
[M]- 243.93112 133.8
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