CID 16228368

923743-10-6

Structural Information

Molecular Formula
C15H16ClNO
SMILES
CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)CCl)C
InChI
InChI=1S/C15H16ClNO/c1-10-6-4-5-7-14(10)17-11(2)8-13(12(17)3)15(18)9-16/h4-8H,9H2,1-3H3
InChIKey
QDQJDTSGEOOZQY-UHFFFAOYSA-N
Compound name
2-chloro-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.09204 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09932 159.0
[M+Na]+ 284.08126 174.0
[M+NH4]+ 279.12586 167.7
[M+K]+ 300.05520 167.7
[M-H]- 260.08476 162.6
[M+Na-2H]- 282.06671 166.3
[M]+ 261.09149 162.5
[M]- 261.09259 162.5
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.