CID 255664

53391-62-1

Structural Information

Molecular Formula
C6H6ClNO
SMILES
C1=CNC(=C1)C(=O)CCl
InChI
InChI=1S/C6H6ClNO/c7-4-6(9)5-2-1-3-8-5/h1-3,8H,4H2
InChIKey
QWNLFQDHVIUYBL-UHFFFAOYSA-N
Compound name
2-chloro-1-(1H-pyrrol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

143.0138 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02108 125.9
[M+Na]+ 166.00302 137.7
[M+NH4]+ 161.04762 134.4
[M+K]+ 181.97696 133.5
[M-H]- 142.00652 126.1
[M+Na-2H]- 163.98847 131.6
[M]+ 143.01325 127.7
[M]- 143.01435 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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