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]+ 226.02655 144.5
[M+Na]+ 248.00849 155.2
[M-H]- 224.01199 147.0
[M+NH4]+ 243.05309 164.9
[M+K]+ 263.98243 150.6
[M+H-H2O]+ 208.01653 139.8
[M+HCOO]- 270.01747 160.6
[M+CH3COO]- 284.03312 184.0
[M+Na-2H]- 245.99394 147.8
[M]+ 225.01872 146.9
[M]- 225.01982 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.