CID 102544074

3,6-dichloro-1-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H7Cl2NO2
SMILES
CN1C2=C(C=CC(=C2)Cl)C(=C1C(=O)O)Cl
InChI
InChI=1S/C10H7Cl2NO2/c1-13-7-4-5(11)2-3-6(7)8(12)9(13)10(14)15/h2-4H,1H3,(H,14,15)
InChIKey
YSUPLOUZDIDDBE-UHFFFAOYSA-N
Compound name
3,6-dichloro-1-methylindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.98538 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99266 145.3
[M+Na]+ 265.97460 160.7
[M+NH4]+ 261.01920 154.0
[M+K]+ 281.94854 155.3
[M-H]- 241.97810 146.4
[M+Na-2H]- 263.96005 151.0
[M]+ 242.98483 148.4
[M]- 242.98593 148.4
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