CID 366727

Nsc635444

Structural Information

Molecular Formula
C16H10Cl2FNO3
SMILES
C1=CC(=CC=C1C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)F
InChI
InChI=1S/C16H10Cl2FNO3/c17-9-5-11-14(12(18)6-9)20-15(22)16(11,23)7-13(21)8-1-3-10(19)4-2-8/h1-6,23H,7H2,(H,20,22)
InChIKey
BDNAEDXMOWNCIW-UHFFFAOYSA-N
Compound name
5,7-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.