CID 2794753

Dtxsid90383379

Structural Information

Molecular Formula
C15H16ClNO
SMILES
CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CCl)C
InChI
InChI=1S/C15H16ClNO/c1-10-4-6-13(7-5-10)17-11(2)8-14(12(17)3)15(18)9-16/h4-8H,9H2,1-3H3
InChIKey
BAEXXXPZKCRCQD-UHFFFAOYSA-N
Compound name
2-chloro-1-[2,5-dimethyl-1-(4-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]+ 262.099316 158.5
[M+Na]+ 284.081258 169.2
[M-H]- 260.084764 164.7
[M+NH4]+ 279.125863 177.3
[M+K]+ 300.055198 163.6
[M+H-H2O]+ 244.089300 152.0
[M+HCOO]- 306.090241 176.8
[M+CH3COO]- 320.105891 197.9
[M+Na-2H]- 282.066706 159.0
[M]+ 261.09149142 163.0
[M]- 261.09258858 163.0
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.