CID 366723

Nsc635440

Structural Information

Molecular Formula
C17H13ClFNO3
SMILES
CC1=CC(=CC2=C1NC(=O)C2(CC(=O)C3=CC=C(C=C3)F)O)Cl
InChI
InChI=1S/C17H13ClFNO3/c1-9-6-11(18)7-13-15(9)20-16(22)17(13,23)8-14(21)10-2-4-12(19)5-3-10/h2-7,23H,8H2,1H3,(H,20,22)
InChIKey
RHVQJNXKHKHQTA-UHFFFAOYSA-N
Compound name
5-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.0568 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06408 172.1
[M+Na]+ 356.04602 183.4
[M-H]- 332.04952 175.5
[M+NH4]+ 351.09062 189.4
[M+K]+ 372.01996 175.8
[M+H-H2O]+ 316.05406 165.7
[M+HCOO]- 378.05500 184.7
[M+CH3COO]- 392.07065 203.9
[M+Na-2H]- 354.03147 172.9
[M]+ 333.05625 173.1
[M]- 333.05735 173.1
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.