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 145.6
[M+Na]+ 234.06561 156.0
[M-H]- 210.06911 148.3
[M+NH4]+ 229.11021 166.5
[M+K]+ 250.03955 151.4
[M+H-H2O]+ 194.07365 140.5
[M+HCOO]- 256.07459 163.9
[M+CH3COO]- 270.09024 188.4
[M+Na-2H]- 232.05106 146.7
[M]+ 211.07584 149.8
[M]- 211.07694 149.8
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.