CID 57492

99304-32-2

Structural Information

Molecular Formula
C10H8ClNO3
SMILES
CC(=O)OC1C2=C(C(=CC=C2)Cl)NC1=O
InChI
InChI=1S/C10H8ClNO3/c1-5(13)15-9-6-3-2-4-7(11)8(6)12-10(9)14/h2-4,9H,1H3,(H,12,14)
InChIKey
JKHCHPATJJTKAU-UHFFFAOYSA-N
Compound name
(7-chloro-2-oxo-1,3-dihydroindol-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.01927 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.026546 144.5
[M+Na]+ 248.008488 155.2
[M-H]- 224.011994 147.0
[M+NH4]+ 243.053093 164.9
[M+K]+ 263.982428 150.6
[M+H-H2O]+ 208.016530 139.8
[M+HCOO]- 270.017471 160.6
[M+CH3COO]- 284.033121 184.0
[M+Na-2H]- 245.993936 147.8
[M]+ 225.01872142 146.9
[M]- 225.01981858 146.9
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

No patent data available for this compound.