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]+ 271.956676 135.2
[M+Na]+ 293.938618 139.3
[M-H]- 269.942124 131.0
[M+NH4]+ 288.983223 152.2
[M+K]+ 309.912558 141.1
[M+H-H2O]+ 253.946660 126.1
[M+HCOO]- 315.947601 154.2
[M+CH3COO]- 329.963251 183.6
[M+Na-2H]- 291.924066 131.0
[M]+ 270.94885142 133.7
[M]- 270.94994858 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.