CID 2384619

568543-78-2

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC1=CC(=C(N1CC=C)C)C(=O)CCl
InChI
InChI=1S/C11H14ClNO/c1-4-5-13-8(2)6-10(9(13)3)11(14)7-12/h4,6H,1,5,7H2,2-3H3
InChIKey
OPQPMUYFVRBHLW-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 146.2
[M+Na]+ 234.06561 158.7
[M+NH4]+ 229.11021 154.0
[M+K]+ 250.03955 153.5
[M-H]- 210.06911 146.7
[M+Na-2H]- 232.05106 150.5
[M]+ 211.07584 148.3
[M]- 211.07694 148.3
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.