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]+ 262.09932 158.5
[M+Na]+ 284.08126 169.2
[M-H]- 260.08476 164.7
[M+NH4]+ 279.12586 177.3
[M+K]+ 300.05520 163.6
[M+H-H2O]+ 244.08930 152.0
[M+HCOO]- 306.09024 176.8
[M+CH3COO]- 320.10589 197.9
[M+Na-2H]- 282.06671 159.0
[M]+ 261.09149 163.0
[M]- 261.09259 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.