CID 130779483

1805028-61-8

Structural Information

Molecular Formula
C7H4ClF2NO3
SMILES
C1=C(C(=CN=C1C(=O)O)Cl)OC(F)F
InChI
InChI=1S/C7H4ClF2NO3/c8-3-2-11-4(6(12)13)1-5(3)14-7(9)10/h1-2,7H,(H,12,13)
InChIKey
IZVYKXALLKMLRG-UHFFFAOYSA-N
Compound name
5-chloro-4-(difluoromethoxy)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.98477 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.992046 135.4
[M+Na]+ 245.973988 145.6
[M-H]- 221.977494 134.3
[M+NH4]+ 241.018593 152.6
[M+K]+ 261.947928 142.3
[M+H-H2O]+ 205.982030 128.5
[M+HCOO]- 267.982971 150.1
[M+CH3COO]- 281.998621 183.8
[M+Na-2H]- 243.959436 139.1
[M]+ 222.98422142 136.1
[M]- 222.98531858 136.1
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

No patent data available for this compound.