CID 7141912

Methyl 7-bromo-4-methoxy-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C11H10BrNO3
SMILES
COC1=C2C=C(NC2=C(C=C1)Br)C(=O)OC
InChI
InChI=1S/C11H10BrNO3/c1-15-9-4-3-7(12)10-6(9)5-8(13-10)11(14)16-2/h3-5,13H,1-2H3
InChIKey
XTTAVMSLGSKAMR-UHFFFAOYSA-N
Compound name
methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

282.9844 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.99168 153.2
[M+Na]+ 305.97362 166.9
[M-H]- 281.97712 158.9
[M+NH4]+ 301.01822 174.2
[M+K]+ 321.94756 155.9
[M+H-H2O]+ 265.98166 153.3
[M+HCOO]- 327.98260 173.7
[M+CH3COO]- 341.99825 193.2
[M+Na-2H]- 303.95907 159.1
[M]+ 282.98385 175.7
[M]- 282.98495 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