CID 44718451

2-chloro-1-(3,5-dimethyl-1h-pyrrol-2-yl)ethan-1-one

Structural Information

Molecular Formula
C8H10ClNO
SMILES
CC1=CC(=C(N1)C(=O)CCl)C
InChI
InChI=1S/C8H10ClNO/c1-5-3-6(2)10-8(5)7(11)4-9/h3,10H,4H2,1-2H3
InChIKey
SNCHNJOPTXAHSC-UHFFFAOYSA-N
Compound name
2-chloro-1-(3,5-dimethyl-1H-pyrrol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

171.04509 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05237 134.2
[M+Na]+ 194.03431 146.3
[M+NH4]+ 189.07891 142.3
[M+K]+ 210.00825 142.0
[M-H]- 170.03781 134.4
[M+Na-2H]- 192.01976 138.9
[M]+ 171.04454 136.1
[M]- 171.04564 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.