CID 3865646

2-chloro-1-(2,3-dihydro-1h-indol-1-yl)propan-1-one

Structural Information

Molecular Formula
C11H12ClNO
SMILES
CC(C(=O)N1CCC2=CC=CC=C21)Cl
InChI
InChI=1S/C11H12ClNO/c1-8(12)11(14)13-7-6-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3
InChIKey
DLXVQAFCFXWGFM-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

209.06075 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06803 145.3
[M+Na]+ 232.04997 153.8
[M-H]- 208.05347 148.3
[M+NH4]+ 227.09457 166.6
[M+K]+ 248.02391 149.7
[M+H-H2O]+ 192.05801 139.7
[M+HCOO]- 254.05895 160.9
[M+CH3COO]- 268.07460 184.8
[M+Na-2H]- 230.03542 148.4
[M]+ 209.06020 146.3
[M]- 209.06130 146.3
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