CID 2060576

5-(chloroacetyl)-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
C1C2=C(C=CC(=C2)C(=O)CCl)NC1=O
InChI
InChI=1S/C10H8ClNO2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-3H,4-5H2,(H,12,14)
InChIKey
WXJWBEAGVWVEDM-UHFFFAOYSA-N
Compound name
5-(2-chloroacetyl)-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

374
Patents

209.02435 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.031626 142.2
[M+Na]+ 232.013568 151.9
[M-H]- 208.017074 144.2
[M+NH4]+ 227.058173 162.8
[M+K]+ 247.987508 146.8
[M+H-H2O]+ 192.021610 137.2
[M+HCOO]- 254.022551 158.0
[M+CH3COO]- 268.038201 181.4
[M+Na-2H]- 229.999016 145.9
[M]+ 209.02380142 142.7
[M]- 209.02489858 142.7
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