CID 2405935

565195-14-4

Structural Information

Molecular Formula
C9H12ClNO
SMILES
CC1=CC(=C(N1C)C)C(=O)CCl
InChI
InChI=1S/C9H12ClNO/c1-6-4-8(9(12)5-10)7(2)11(6)3/h4H,5H2,1-3H3
InChIKey
KINLEKFUTAPEHI-UHFFFAOYSA-N
Compound name
2-chloro-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

185.06075 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06803 137.8
[M+Na]+ 208.04997 150.7
[M+NH4]+ 203.09457 146.2
[M+K]+ 224.02391 146.1
[M-H]- 184.05347 138.6
[M+Na-2H]- 206.03542 142.7
[M]+ 185.06020 140.1
[M]- 185.06130 140.1
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

patents stripe