CID 60145925

1378864-45-9

Structural Information

Molecular Formula
C7H4ClIN2
SMILES
CC1=C(C(=NC=C1I)Cl)C#N
InChI
InChI=1S/C7H4ClIN2/c1-4-5(2-10)7(8)11-3-6(4)9/h3H,1H3
InChIKey
CRMWYGBBZGPZMZ-UHFFFAOYSA-N
Compound name
2-chloro-5-iodo-4-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

277.91077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.918046 135.0
[M+Na]+ 300.899988 141.4
[M-H]- 276.903494 131.3
[M+NH4]+ 295.944593 149.1
[M+K]+ 316.873928 142.4
[M+H-H2O]+ 260.908030 120.6
[M+HCOO]- 322.908971 146.6
[M+CH3COO]- 336.924621 199.1
[M+Na-2H]- 298.885436 130.4
[M]+ 277.91022142 130.3
[M]- 277.91131858 130.3
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

patents stripe