CID 19905903

4-chloropyridine-2,6-dicarbaldehyde

Structural Information

Molecular Formula
C7H4ClNO2
SMILES
C1=C(C=C(N=C1C=O)C=O)Cl
InChI
InChI=1S/C7H4ClNO2/c8-5-1-6(3-10)9-7(2-5)4-11/h1-4H
InChIKey
BSKSABGWROVHEE-UHFFFAOYSA-N
Compound name
4-chloropyridine-2,6-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

168.99306 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.000336 127.2
[M+Na]+ 191.982278 138.7
[M-H]- 167.985784 130.2
[M+NH4]+ 187.026883 147.6
[M+K]+ 207.956218 135.1
[M+H-H2O]+ 151.990320 122.1
[M+HCOO]- 213.991261 147.4
[M+CH3COO]- 228.006911 176.3
[M+Na-2H]- 189.967726 134.8
[M]+ 168.99251142 131.0
[M]- 168.99360858 131.0
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