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]+ 236.04729 148.2
[M+Na]+ 258.02923 159.3
[M-H]- 234.03273 152.1
[M+NH4]+ 253.07383 168.7
[M+K]+ 274.00317 154.6
[M+H-H2O]+ 218.03727 142.6
[M+HCOO]- 280.03821 166.8
[M+CH3COO]- 294.05386 190.2
[M+Na-2H]- 256.01468 152.1
[M]+ 235.03946 153.7
[M]- 235.04056 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.