CID 124706996

4-bromo-7-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H8BrNO2
SMILES
CC1=C2C(=C(C=C1)Br)C=C(N2)C(=O)O
InChI
InChI=1S/C10H8BrNO2/c1-5-2-3-7(11)6-4-8(10(13)14)12-9(5)6/h2-4,12H,1H3,(H,13,14)
InChIKey
JRFBAQBNOUOASF-UHFFFAOYSA-N
Compound name
4-bromo-7-methyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

252.97385 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.98113 148.4
[M+Na]+ 275.96307 151.8
[M+NH4]+ 271.00767 152.6
[M+K]+ 291.93701 153.8
[M-H]- 251.96657 147.5
[M+Na-2H]- 273.94852 150.1
[M]+ 252.97330 147.3
[M]- 252.97440 147.3
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