CID 76847523

1-(7-chloro-1h-indol-3-yl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C12H12ClNO
SMILES
CC(C)C(=O)C1=CNC2=C1C=CC=C2Cl
InChI
InChI=1S/C12H12ClNO/c1-7(2)12(15)9-6-14-11-8(9)4-3-5-10(11)13/h3-7,14H,1-2H3
InChIKey
AWLFXQSRUGWNIF-UHFFFAOYSA-N
Compound name
1-(7-chloro-1H-indol-3-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06075 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06803 146.7
[M+Na]+ 244.04997 157.2
[M-H]- 220.05347 149.3
[M+NH4]+ 239.09457 167.3
[M+K]+ 260.02391 151.7
[M+H-H2O]+ 204.05801 141.6
[M+HCOO]- 266.05895 163.4
[M+CH3COO]- 280.07460 186.5
[M+Na-2H]- 242.03542 150.2
[M]+ 221.06020 149.7
[M]- 221.06130 149.7
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.