CID 21867454

Methyl 4-bromo-6-methoxy-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C11H10BrNO3
SMILES
COC1=CC2=C(C=C(N2)C(=O)OC)C(=C1)Br
InChI
InChI=1S/C11H10BrNO3/c1-15-6-3-8(12)7-5-10(11(14)16-2)13-9(7)4-6/h3-5,13H,1-2H3
InChIKey
JFFQIYIECDBXEB-UHFFFAOYSA-N
Compound name
methyl 4-bromo-6-methoxy-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

282.9844 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.991676 153.2
[M+Na]+ 305.973618 166.9
[M-H]- 281.977124 158.9
[M+NH4]+ 301.018223 174.2
[M+K]+ 321.947558 155.9
[M+H-H2O]+ 265.981660 153.3
[M+HCOO]- 327.982601 173.7
[M+CH3COO]- 341.998251 193.2
[M+Na-2H]- 303.959066 159.1
[M]+ 282.98385142 175.7
[M]- 282.98494858 175.7
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

patents stripe