CID 4868373

857041-83-9

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]+ 239.05818 148.6
[M+Na]+ 261.04012 162.6
[M+NH4]+ 256.08472 156.1
[M+K]+ 277.01406 160.4
[M-H]- 237.04362 151.5
[M+Na-2H]- 259.02557 154.8
[M]+ 238.05035 151.6
[M]- 238.05145 151.6
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.