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]+ 239.05818 149.7
[M+Na]+ 261.04012 161.8
[M-H]- 237.04362 155.7
[M+NH4]+ 256.08472 168.3
[M+K]+ 277.01406 158.8
[M+H-H2O]+ 221.04816 143.1
[M+HCOO]- 283.04910 169.3
[M+CH3COO]- 297.06475 189.6
[M+Na-2H]- 259.02557 151.8
[M]+ 238.05035 156.8
[M]- 238.05145 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.