CID 53418877

7-bromo-1-methyl-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C10H8BrNO2
SMILES
CN1C=C(C2=C1C(=CC=C2)Br)C(=O)O
InChI
InChI=1S/C10H8BrNO2/c1-12-5-7(10(13)14)6-3-2-4-8(11)9(6)12/h2-5H,1H3,(H,13,14)
InChIKey
YUZSHCRKAFZOHD-UHFFFAOYSA-N
Compound name
7-bromo-1-methylindole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.97385 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.98113 147.4
[M+Na]+ 275.96307 151.3
[M+NH4]+ 271.00767 151.9
[M+K]+ 291.93701 153.0
[M-H]- 251.96657 146.9
[M+Na-2H]- 273.94852 149.6
[M]+ 252.97330 146.5
[M]- 252.97440 146.5
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

No patent data available for this compound.