CID 61380066

1211541-12-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
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

No literature data available for this compound.

Patent stripe

patents stripe