CID 70700634

1289042-45-0

Structural Information

Molecular Formula
C7H4ClNO3
SMILES
C1=CN=C(C(=C1C(=O)O)C=O)Cl
InChI
InChI=1S/C7H4ClNO3/c8-6-5(3-10)4(7(11)12)1-2-9-6/h1-3H,(H,11,12)
InChIKey
QZOUCFCTUUEITK-UHFFFAOYSA-N
Compound name
2-chloro-3-formylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.98798 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.99526 130.4
[M+Na]+ 207.97720 141.1
[M-H]- 183.98070 132.2
[M+NH4]+ 203.02180 149.4
[M+K]+ 223.95114 137.6
[M+H-H2O]+ 167.98524 125.6
[M+HCOO]- 229.98618 148.4
[M+CH3COO]- 244.00183 176.6
[M+Na-2H]- 205.96265 136.4
[M]+ 184.98743 133.3
[M]- 184.98853 133.3
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.