CID 11481217

6-chloro-3-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
CC1=C(NC2=C1C=CC(=C2)Cl)C(=O)O
InChI
InChI=1S/C10H8ClNO2/c1-5-7-3-2-6(11)4-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKey
DYVDDDKAEPQDGB-UHFFFAOYSA-N
Compound name
6-chloro-3-methyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

209.02435 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.031626 140.3
[M+Na]+ 232.013568 152.3
[M-H]- 208.017074 142.1
[M+NH4]+ 227.058173 160.9
[M+K]+ 247.987508 146.5
[M+H-H2O]+ 192.021610 135.9
[M+HCOO]- 254.022551 157.3
[M+CH3COO]- 268.038201 180.3
[M+Na-2H]- 229.999016 144.9
[M]+ 209.02380142 143.1
[M]- 209.02489858 143.1
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