CID 101043422

1043870-58-1

Structural Information

Molecular Formula
C8H7ClINO2
SMILES
CC1=C(N=C(C=C1C(=O)OC)I)Cl
InChI
InChI=1S/C8H7ClINO2/c1-4-5(8(12)13-2)3-6(10)11-7(4)9/h3H,1-2H3
InChIKey
ZBDLXUCRHRRXFN-UHFFFAOYSA-N
Compound name
methyl 2-chloro-6-iodo-3-methylpyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.921 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.92828 142.6
[M+Na]+ 333.91022 146.6
[M-H]- 309.91372 138.8
[M+NH4]+ 328.95482 157.1
[M+K]+ 349.88416 149.5
[M+H-H2O]+ 293.91826 133.9
[M+HCOO]- 355.91920 156.4
[M+CH3COO]- 369.93485 192.7
[M+Na-2H]- 331.89567 135.7
[M]+ 310.92045 144.6
[M]- 310.92155 144.6
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.