CID 89952

22980-09-2

Structural Information

Molecular Formula
C10H6ClNO2
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)Cl
InChI
InChI=1S/C10H6ClNO2/c11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8/h1-5,12H
InChIKey
FPEGGKCNMYDNMW-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-2-oxoacetyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

546
Patents

207.00871 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.015986 139.6
[M+Na]+ 229.997928 150.2
[M-H]- 206.001434 142.1
[M+NH4]+ 225.042533 160.1
[M+K]+ 245.971868 145.1
[M+H-H2O]+ 190.005970 134.4
[M+HCOO]- 252.006911 157.3
[M+CH3COO]- 266.022561 180.5
[M+Na-2H]- 227.983376 144.8
[M]+ 207.00816142 142.1
[M]- 207.00925858 142.1
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