CID 366704

Nsc635421

Structural Information

Molecular Formula
C18H14ClNO3
SMILES
CC1=C(C=CC2=C1NC(=O)C2(C3CC4=CC=CC=C4C3=O)O)Cl
InChI
InChI=1S/C18H14ClNO3/c1-9-14(19)7-6-12-15(9)20-17(22)18(12,23)13-8-10-4-2-3-5-11(10)16(13)21/h2-7,13,23H,8H2,1H3,(H,20,22)
InChIKey
VVKNTOSRNKHDRO-UHFFFAOYSA-N
Compound name
6-chloro-3-hydroxy-7-methyl-3-(3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.06622 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07350 175.2
[M+Na]+ 350.05544 187.3
[M-H]- 326.05894 181.3
[M+NH4]+ 345.10004 195.7
[M+K]+ 366.02938 179.2
[M+H-H2O]+ 310.06348 170.2
[M+HCOO]- 372.06442 188.5
[M+CH3COO]- 386.08007 187.0
[M+Na-2H]- 348.04089 175.3
[M]+ 327.06567 176.8
[M]- 327.06677 176.8
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.