CID 366627

Nsc635302

Structural Information

Molecular Formula
C14H9Cl2NO4
SMILES
C1=COC(=C1)C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O
InChI
InChI=1S/C14H9Cl2NO4/c15-7-4-8-12(9(16)5-7)17-13(19)14(8,20)6-10(18)11-2-1-3-21-11/h1-5,20H,6H2,(H,17,19)
InChIKey
RHDRZDUIEIVCRG-UHFFFAOYSA-N
Compound name
5,7-dichloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.99088 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.99816 168.2
[M+Na]+ 347.98010 179.7
[M-H]- 323.98360 173.2
[M+NH4]+ 343.02470 186.4
[M+K]+ 363.95404 173.7
[M+H-H2O]+ 307.98814 164.3
[M+HCOO]- 369.98908 177.7
[M+CH3COO]- 384.00473 180.0
[M+Na-2H]- 345.96555 169.1
[M]+ 324.99033 172.5
[M]- 324.99143 172.5
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.