CID 70120511

4,6-dichloro-3-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H7Cl2NO2
SMILES
CC1=C(NC2=C1C(=CC(=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C10H7Cl2NO2/c1-4-8-6(12)2-5(11)3-7(8)13-9(4)10(14)15/h2-3,13H,1H3,(H,14,15)
InChIKey
WPRCUFHYPTYFBP-UHFFFAOYSA-N
Compound name
4,6-dichloro-3-methyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

242.98538 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99266 145.9
[M+Na]+ 265.97460 159.1
[M-H]- 241.97810 147.3
[M+NH4]+ 261.01920 165.8
[M+K]+ 281.94854 152.1
[M+H-H2O]+ 225.98264 142.3
[M+HCOO]- 287.98358 157.8
[M+CH3COO]- 301.99923 186.3
[M+Na-2H]- 263.96005 149.1
[M]+ 242.98483 150.1
[M]- 242.98593 150.1
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