CID 83900782

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

Structural Information

Molecular Formula
C10H8BrNO2
SMILES
CC1=CC(=CC2=C1C=C(N2)C(=O)O)Br
InChI
InChI=1S/C10H8BrNO2/c1-5-2-6(11)3-8-7(5)4-9(12-8)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKey
RLJIIICUHBNIRK-UHFFFAOYSA-N
Compound name
6-bromo-4-methyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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 146.7
[M+Na]+ 275.96307 160.6
[M-H]- 251.96657 151.2
[M+NH4]+ 271.00767 168.1
[M+K]+ 291.93701 148.3
[M+H-H2O]+ 235.97111 147.3
[M+HCOO]- 297.97205 165.9
[M+CH3COO]- 311.98770 186.8
[M+Na-2H]- 273.94852 152.6
[M]+ 252.97330 165.9
[M]- 252.97440 165.9
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