CID 3771152

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

Structural Information

Molecular Formula
C12H12ClNO
SMILES
CC1=C(C2=CC=CC=C2N1)C(=O)C(C)Cl
InChI
InChI=1S/C12H12ClNO/c1-7(13)12(15)11-8(2)14-10-6-4-3-5-9(10)11/h3-7,14H,1-2H3
InChIKey
COXOTSLMVCSSMG-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06075 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06803 145.9
[M+Na]+ 244.04997 159.8
[M+NH4]+ 239.09457 154.7
[M+K]+ 260.02391 154.6
[M-H]- 220.05347 147.2
[M+Na-2H]- 242.03542 151.7
[M]+ 221.06020 148.5
[M]- 221.06130 148.5
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.