CID 14391464

7-iodo-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C9H6INO
SMILES
C1=CC2=C(C(=C1)I)NC=C2C=O
InChI
InChI=1S/C9H6INO/c10-8-3-1-2-7-6(5-12)4-11-9(7)8/h1-5,11H
InChIKey
WHGDHUAKWNEPJU-UHFFFAOYSA-N
Compound name
7-iodo-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.9494 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.95668 135.2
[M+Na]+ 293.93862 139.3
[M-H]- 269.94212 131.0
[M+NH4]+ 288.98322 152.2
[M+K]+ 309.91256 141.1
[M+H-H2O]+ 253.94666 126.1
[M+HCOO]- 315.94760 154.2
[M+CH3COO]- 329.96325 183.6
[M+Na-2H]- 291.92407 131.0
[M]+ 270.94885 133.7
[M]- 270.94995 133.7
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.