CID 15850399

Ethyl 2-chloro-4-iodopyridine-3-carboxylate

Structural Information

Molecular Formula
C8H7ClINO2
SMILES
CCOC(=O)C1=C(C=CN=C1Cl)I
InChI
InChI=1S/C8H7ClINO2/c1-2-13-8(12)6-5(10)3-4-11-7(6)9/h3-4H,2H2,1H3
InChIKey
YOJVEUAQIMBZSL-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-4-iodopyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
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 144.0
[M+Na]+ 333.91022 147.1
[M-H]- 309.91372 139.8
[M+NH4]+ 328.95482 158.2
[M+K]+ 349.88416 149.9
[M+H-H2O]+ 293.91826 135.0
[M+HCOO]- 355.91920 157.7
[M+CH3COO]- 369.93485 191.6
[M+Na-2H]- 331.89567 137.6
[M]+ 310.92045 145.6
[M]- 310.92155 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe