CID 59184770

3,5-dichloro-2,6-difluoro-4-pyridineacetic acid

Structural Information

Molecular Formula
C7H3Cl2F2NO2
SMILES
C(C1=C(C(=NC(=C1Cl)F)F)Cl)C(=O)O
InChI
InChI=1S/C7H3Cl2F2NO2/c8-4-2(1-3(13)14)5(9)7(11)12-6(4)10/h1H2,(H,13,14)
InChIKey
SGLXACHKHUYVJQ-UHFFFAOYSA-N
Compound name
2-(3,5-dichloro-2,6-difluoropyridin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

240.9509 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.95818 136.2
[M+Na]+ 263.94012 148.8
[M-H]- 239.94362 135.1
[M+NH4]+ 258.98472 153.8
[M+K]+ 279.91406 143.2
[M+H-H2O]+ 223.94816 130.7
[M+HCOO]- 285.94910 146.6
[M+CH3COO]- 299.96475 188.0
[M+Na-2H]- 261.92557 139.1
[M]+ 240.95035 137.9
[M]- 240.95145 137.9
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