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]+ 174.03163 132.1
[M+Na]+ 196.01357 142.9
[M-H]- 172.01707 135.6
[M+NH4]+ 191.05817 152.9
[M+K]+ 211.98751 141.4
[M+H-H2O]+ 156.02161 127.3
[M+HCOO]- 218.02255 150.8
[M+CH3COO]- 232.03820 178.1
[M+Na-2H]- 193.99902 136.8
[M]+ 173.02380 137.1
[M]- 173.02490 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.