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

50
Patents

189.02374 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.03102 132.6
[M+Na]+ 212.01296 141.1
[M-H]- 188.01646 131.2
[M+NH4]+ 207.05756 150.0
[M+K]+ 227.98690 139.6
[M+H-H2O]+ 172.02100 124.6
[M+HCOO]- 234.02194 151.8
[M+CH3COO]- 248.03759 178.8
[M+Na-2H]- 209.99841 137.1
[M]+ 189.02319 130.8
[M]- 189.02429 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