CID 4868373

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

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CC1=CC(=C(N1C2=NOC=C2)C)C(=O)CCl
InChI
InChI=1S/C11H11ClN2O2/c1-7-5-9(10(15)6-12)8(2)14(7)11-3-4-16-13-11/h3-5H,6H2,1-2H3
InChIKey
AMUMCOAHTVMOAC-UHFFFAOYSA-N
Compound name
2-chloro-1-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

238.0509 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.058176 149.7
[M+Na]+ 261.040118 161.8
[M-H]- 237.043624 155.7
[M+NH4]+ 256.084723 168.3
[M+K]+ 277.014058 158.8
[M+H-H2O]+ 221.048160 143.1
[M+HCOO]- 283.049101 169.3
[M+CH3COO]- 297.064751 189.6
[M+Na-2H]- 259.025566 151.8
[M]+ 238.05035142 156.8
[M]- 238.05144858 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.