CID 2068157

2-(5-chloro-2-methyl-1h-indol-3-yl)acetic acid

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
CC1=C(C2=C(N1)C=CC(=C2)Cl)CC(=O)O
InChI
InChI=1S/C11H10ClNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)
InChIKey
OAIODEZFMSXHFQ-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

223.04001 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.047286 145.0
[M+Na]+ 246.029228 156.6
[M-H]- 222.032734 146.6
[M+NH4]+ 241.073833 165.1
[M+K]+ 262.003168 150.6
[M+H-H2O]+ 206.037270 140.4
[M+HCOO]- 268.038211 161.7
[M+CH3COO]- 282.053861 183.3
[M+Na-2H]- 244.014676 149.1
[M]+ 223.03946142 148.2
[M]- 223.04055858 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe