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

28
Patents

209.02435 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03163 140.2
[M+Na]+ 232.01357 151.7
[M-H]- 208.01707 142.9
[M+NH4]+ 227.05817 161.2
[M+K]+ 247.98751 146.8
[M+H-H2O]+ 192.02161 135.1
[M+HCOO]- 254.02255 158.7
[M+CH3COO]- 268.03820 181.6
[M+Na-2H]- 229.99902 145.9
[M]+ 209.02380 144.4
[M]- 209.02490 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