CID 57475871

5-(difluoromethoxy)picolinic acid

Structural Information

Molecular Formula
C7H5F2NO3
SMILES
C1=CC(=NC=C1OC(F)F)C(=O)O
InChI
InChI=1S/C7H5F2NO3/c8-7(9)13-4-1-2-5(6(11)12)10-3-4/h1-3,7H,(H,11,12)
InChIKey
QOGGIPBAUKZCGU-UHFFFAOYSA-N
Compound name
5-(difluoromethoxy)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

272
Patents

189.02374 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.031016 132.6
[M+Na]+ 212.012958 141.1
[M-H]- 188.016464 131.2
[M+NH4]+ 207.057563 150.0
[M+K]+ 227.986898 139.6
[M+H-H2O]+ 172.021000 124.6
[M+HCOO]- 234.021941 151.8
[M+CH3COO]- 248.037591 178.8
[M+Na-2H]- 209.998406 137.1
[M]+ 189.02319142 130.8
[M]- 189.02428858 130.8
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