CID 366628

Nsc635303

Structural Information

Molecular Formula
C16H10Cl2FNO3
SMILES
C1=CC(=CC=C1C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O)F
InChI
InChI=1S/C16H10Cl2FNO3/c17-10-5-6-11(18)14-13(10)16(23,15(22)20-14)7-12(21)8-1-3-9(19)4-2-8/h1-6,23H,7H2,(H,20,22)
InChIKey
JBFSDQSHSSHAOT-UHFFFAOYSA-N
Compound name
4,7-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

353.00217 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.00945 172.4
[M+Na]+ 375.99139 184.3
[M-H]- 351.99489 175.2
[M+NH4]+ 371.03599 189.3
[M+K]+ 391.96533 176.0
[M+H-H2O]+ 335.99943 166.6
[M+HCOO]- 398.00037 180.3
[M+CH3COO]- 412.01602 183.2
[M+Na-2H]- 373.97684 173.0
[M]+ 353.00162 174.3
[M]- 353.00272 174.3
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