CID 16226819

1-(1-acetyl-2,3-dihydro-1h-indol-5-yl)-2-chloropropan-1-one

Structural Information

Molecular Formula
C13H14ClNO2
SMILES
CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)Cl
InChI
InChI=1S/C13H14ClNO2/c1-8(14)13(17)11-3-4-12-10(7-11)5-6-15(12)9(2)16/h3-4,7-8H,5-6H2,1-2H3
InChIKey
JSMBGMRSUWECSH-UHFFFAOYSA-N
Compound name
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-chloropropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

251.0713 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.07858 153.8
[M+Na]+ 274.06052 165.5
[M+NH4]+ 269.10512 161.8
[M+K]+ 290.03446 161.6
[M-H]- 250.06402 154.3
[M+Na-2H]- 272.04597 157.4
[M]+ 251.07075 155.7
[M]- 251.07185 155.7
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