CID 325810

2-(6-chloro-1h-indol-3-yl)acetic acid

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
C1=CC2=C(C=C1Cl)NC=C2CC(=O)O
InChI
InChI=1S/C10H8ClNO2/c11-7-1-2-8-6(3-10(13)14)5-12-9(8)4-7/h1-2,4-5,12H,3H2,(H,13,14)
InChIKey
KKJVTNQWFSAWSK-UHFFFAOYSA-N
Compound name
2-(6-chloro-1H-indol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

107
Patents

209.02435 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03163 140.5
[M+Na]+ 232.01357 151.6
[M-H]- 208.01707 141.9
[M+NH4]+ 227.05817 160.8
[M+K]+ 247.98751 145.8
[M+H-H2O]+ 192.02161 135.8
[M+HCOO]- 254.02255 157.6
[M+CH3COO]- 268.03820 179.1
[M+Na-2H]- 229.99902 145.9
[M]+ 209.02380 142.9
[M]- 209.02490 142.9
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