CID 75356036

2-chloro-1-(dimethyl-1,3-oxazol-5-yl)ethan-1-one

Structural Information

Molecular Formula
C7H8ClNO2
SMILES
CC1=C(OC(=N1)C)C(=O)CCl
InChI
InChI=1S/C7H8ClNO2/c1-4-7(6(10)3-8)11-5(2)9-4/h3H2,1-2H3
InChIKey
WTWSJUPQIVNLHS-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.02435 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.031626 132.1
[M+Na]+ 196.013568 142.9
[M-H]- 172.017074 135.6
[M+NH4]+ 191.058173 152.9
[M+K]+ 211.987508 141.4
[M+H-H2O]+ 156.021610 127.3
[M+HCOO]- 218.022551 150.8
[M+CH3COO]- 232.038201 178.1
[M+Na-2H]- 193.999016 136.8
[M]+ 173.02380142 137.1
[M]- 173.02489858 137.1
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

No patent data available for this compound.