CID 69645565

3-iodo-1h-indole-7-carbonitrile

Structural Information

Molecular Formula
C9H5IN2
SMILES
C1=CC(=C2C(=C1)C(=CN2)I)C#N
InChI
InChI=1S/C9H5IN2/c10-8-5-12-9-6(4-11)2-1-3-7(8)9/h1-3,5,12H
InChIKey
UKENBFMERQCASF-UHFFFAOYSA-N
Compound name
3-iodo-1H-indole-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.94974 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.95702 139.8
[M+Na]+ 290.93896 146.2
[M-H]- 266.94246 135.4
[M+NH4]+ 285.98356 155.0
[M+K]+ 306.91290 145.5
[M+H-H2O]+ 250.94700 124.6
[M+HCOO]- 312.94794 155.2
[M+CH3COO]- 326.96359 148.6
[M+Na-2H]- 288.92441 135.8
[M]+ 267.94919 132.9
[M]- 267.95029 132.9
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