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

9
Patents

242.98538 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.992656 145.9
[M+Na]+ 265.974598 159.1
[M-H]- 241.978104 147.3
[M+NH4]+ 261.019203 165.8
[M+K]+ 281.948538 152.1
[M+H-H2O]+ 225.982640 142.3
[M+HCOO]- 287.983581 157.8
[M+CH3COO]- 301.999231 186.3
[M+Na-2H]- 263.960046 149.1
[M]+ 242.98483142 150.1
[M]- 242.98592858 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