CID 277990

1-(4-chlorobenzyl)-1h-indole-2,3-dione

Structural Information

Molecular Formula
C15H10ClNO2
SMILES
C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H10ClNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2
InChIKey
VEBLIIOSJXGVAW-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

28
Patents

271.04 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04728 158.9
[M+Na]+ 294.02922 170.4
[M-H]- 270.03272 165.8
[M+NH4]+ 289.07382 177.9
[M+K]+ 310.00316 163.9
[M+H-H2O]+ 254.03726 152.0
[M+HCOO]- 316.03820 176.9
[M+CH3COO]- 330.05385 172.1
[M+Na-2H]- 292.01467 162.3
[M]+ 271.03945 162.1
[M]- 271.04055 162.1
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