CID 21704731

2-iodo-1h-pyrrolo[2,3-c]pyridine

Structural Information

Molecular Formula
C7H5IN2
SMILES
C1=CN=CC2=C1C=C(N2)I
InChI
InChI=1S/C7H5IN2/c8-7-3-5-1-2-9-4-6(5)10-7/h1-4,10H
InChIKey
WSBRJCFHGLRDAF-UHFFFAOYSA-N
Compound name
2-iodo-1H-pyrrolo[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

243.94975 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.95703 126.0
[M+Na]+ 266.93897 130.0
[M-H]- 242.94247 120.4
[M+NH4]+ 261.98357 142.6
[M+K]+ 282.91291 132.2
[M+H-H2O]+ 226.94701 116.3
[M+HCOO]- 288.94795 144.2
[M+CH3COO]- 302.96360 136.4
[M+Na-2H]- 264.92442 123.8
[M]+ 243.94920 123.5
[M]- 243.95030 123.5
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