CID 116822648

3-chloro-1-(1-methyl-1h-indol-3-yl)propane-1,2-dione

Structural Information

Molecular Formula
C12H10ClNO2
SMILES
CN1C=C(C2=CC=CC=C21)C(=O)C(=O)CCl
InChI
InChI=1S/C12H10ClNO2/c1-14-7-9(12(16)11(15)6-13)8-4-2-3-5-10(8)14/h2-5,7H,6H2,1H3
InChIKey
NFTBUXALWKRPBS-UHFFFAOYSA-N
Compound name
3-chloro-1-(1-methylindol-3-yl)propane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.04001 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.047286 148.2
[M+Na]+ 258.029228 159.3
[M-H]- 234.032734 152.1
[M+NH4]+ 253.073833 168.7
[M+K]+ 274.003168 154.6
[M+H-H2O]+ 218.037270 142.6
[M+HCOO]- 280.038211 166.8
[M+CH3COO]- 294.053861 190.2
[M+Na-2H]- 256.014676 152.1
[M]+ 235.03946142 153.7
[M]- 235.04055858 153.7
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.