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]+ 222.068026 146.7
[M+Na]+ 244.049968 157.2
[M-H]- 220.053474 149.3
[M+NH4]+ 239.094573 167.3
[M+K]+ 260.023908 151.7
[M+H-H2O]+ 204.058010 141.6
[M+HCOO]- 266.058951 163.4
[M+CH3COO]- 280.074601 186.5
[M+Na-2H]- 242.035416 150.2
[M]+ 221.06020142 149.7
[M]- 221.06129858 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.