CID 129972201

Methyl 4-iodo-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C10H8INO2
SMILES
COC(=O)C1=CC2=C(N1)C=CC=C2I
InChI
InChI=1S/C10H8INO2/c1-14-10(13)9-5-6-7(11)3-2-4-8(6)12-9/h2-5,12H,1H3
InChIKey
QJJKBLGPGQTMQO-UHFFFAOYSA-N
Compound name
methyl 4-iodo-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.96 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.967276 144.7
[M+Na]+ 323.949218 148.0
[M-H]- 299.952724 140.4
[M+NH4]+ 318.993823 160.4
[M+K]+ 339.923158 150.6
[M+H-H2O]+ 283.957260 135.3
[M+HCOO]- 345.958201 162.5
[M+CH3COO]- 359.973851 188.6
[M+Na-2H]- 321.934666 138.7
[M]+ 300.95945142 144.2
[M]- 300.96054858 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.