CID 2119986

784172-19-6

Structural Information

Molecular Formula
C10H14ClNO
SMILES
CCN1C(=CC(=C1C)C(=O)CCl)C
InChI
InChI=1S/C10H14ClNO/c1-4-12-7(2)5-9(8(12)3)10(13)6-11/h5H,4,6H2,1-3H3
InChIKey
MZROZFPFLUMMOS-UHFFFAOYSA-N
Compound name
2-chloro-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.07639 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.083666 142.1
[M+Na]+ 222.065608 152.6
[M-H]- 198.069114 144.9
[M+NH4]+ 217.110213 163.5
[M+K]+ 238.039548 148.9
[M+H-H2O]+ 182.073650 137.2
[M+HCOO]- 244.074591 160.6
[M+CH3COO]- 258.090241 186.3
[M+Na-2H]- 220.051056 143.7
[M]+ 199.07584142 146.6
[M]- 199.07693858 146.6
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.