CID 46311542

1214332-84-9

Structural Information

Molecular Formula
C7H4ClF2NO3
SMILES
C1=C(C=C(N=C1OC(F)F)Cl)C(=O)O
InChI
InChI=1S/C7H4ClF2NO3/c8-4-1-3(6(12)13)2-5(11-4)14-7(9)10/h1-2,7H,(H,12,13)
InChIKey
SPLZJTAUBSIWEH-UHFFFAOYSA-N
Compound name
2-chloro-6-(difluoromethoxy)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.98477 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.99205 135.4
[M+Na]+ 245.97399 145.6
[M-H]- 221.97749 134.3
[M+NH4]+ 241.01859 152.6
[M+K]+ 261.94793 142.3
[M+H-H2O]+ 205.98203 128.5
[M+HCOO]- 267.98297 150.1
[M+CH3COO]- 281.99862 183.8
[M+Na-2H]- 243.95944 139.1
[M]+ 222.98422 136.1
[M]- 222.98532 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.