CID 28284423

943654-33-9

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
C1=CC(=CC2=C1C=CN2CC(=O)O)Cl
InChI
InChI=1S/C10H8ClNO2/c11-8-2-1-7-3-4-12(6-10(13)14)9(7)5-8/h1-5H,6H2,(H,13,14)
InChIKey
OUXDBYYTCZPJLG-UHFFFAOYSA-N
Compound name
2-(6-chloroindol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

209.02435 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.031626 140.2
[M+Na]+ 232.013568 151.7
[M-H]- 208.017074 142.9
[M+NH4]+ 227.058173 161.2
[M+K]+ 247.987508 146.8
[M+H-H2O]+ 192.021610 135.1
[M+HCOO]- 254.022551 158.7
[M+CH3COO]- 268.038201 181.6
[M+Na-2H]- 229.999016 145.9
[M]+ 209.02380142 144.4
[M]- 209.02489858 144.4
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