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]+ 200.08367 142.1
[M+Na]+ 222.06561 152.6
[M-H]- 198.06911 144.9
[M+NH4]+ 217.11021 163.5
[M+K]+ 238.03955 148.9
[M+H-H2O]+ 182.07365 137.2
[M+HCOO]- 244.07459 160.6
[M+CH3COO]- 258.09024 186.3
[M+Na-2H]- 220.05106 143.7
[M]+ 199.07584 146.6
[M]- 199.07694 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.