CID 366718

Nsc635434

Structural Information

Molecular Formula
C17H14ClNO3
SMILES
CC(C(=O)C1=CC=CC=C1)C2(C3=C(C=CC(=C3)Cl)NC2=O)O
InChI
InChI=1S/C17H14ClNO3/c1-10(15(20)11-5-3-2-4-6-11)17(22)13-9-12(18)7-8-14(13)19-16(17)21/h2-10,22H,1H3,(H,19,21)
InChIKey
ORTHIZOGJSFWBH-UHFFFAOYSA-N
Compound name
5-chloro-3-hydroxy-3-(1-oxo-1-phenylpropan-2-yl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.06622 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07350 170.2
[M+Na]+ 338.05544 179.3
[M-H]- 314.05894 174.4
[M+NH4]+ 333.10004 187.6
[M+K]+ 354.02938 172.7
[M+H-H2O]+ 298.06348 164.4
[M+HCOO]- 360.06442 182.9
[M+CH3COO]- 374.08007 199.6
[M+Na-2H]- 336.04089 171.7
[M]+ 315.06567 170.8
[M]- 315.06677 170.8
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.