CID 13356515

4-bromo-5-methoxy-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H8BrNO3
SMILES
COC1=C(C2=C(C=C1)NC(=C2)C(=O)O)Br
InChI
InChI=1S/C10H8BrNO3/c1-15-8-3-2-6-5(9(8)11)4-7(12-6)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKey
KETOXWNTPOPCTC-UHFFFAOYSA-N
Compound name
4-bromo-5-methoxy-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

268.96875 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.97603 151.9
[M+Na]+ 291.95797 154.9
[M+NH4]+ 287.00257 155.5
[M+K]+ 307.93191 157.3
[M-H]- 267.96147 150.5
[M+Na-2H]- 289.94342 153.1
[M]+ 268.96820 150.6
[M]- 268.96930 150.6
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