CID 176451668

At49459

Structural Information

Molecular Formula
C8H6ClIN2
SMILES
CN1C=CC2=C1C(=NC=C2I)Cl
InChI
InChI=1S/C8H6ClIN2/c1-12-3-2-5-6(10)4-11-8(9)7(5)12/h2-4H,1H3
InChIKey
JLHFDUNCUCLDEQ-UHFFFAOYSA-N
Compound name
7-chloro-4-iodo-1-methylpyrrolo[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.92642 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.93370 133.0
[M+Na]+ 314.91564 139.4
[M-H]- 290.91914 128.9
[M+NH4]+ 309.96024 149.8
[M+K]+ 330.88958 140.5
[M+H-H2O]+ 274.92368 123.6
[M+HCOO]- 336.92462 147.8
[M+CH3COO]- 350.94027 144.0
[M+Na-2H]- 312.90109 129.1
[M]+ 291.92587 135.0
[M]- 291.92697 135.0
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

No patent data available for this compound.