CID 2736894

5-methylisoxazole-3-carbonyl chloride

Structural Information

Molecular Formula
C5H4ClNO2
SMILES
CC1=CC(=NO1)C(=O)Cl
InChI
InChI=1S/C5H4ClNO2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3
InChIKey
XMVNMWDLOGSUSM-UHFFFAOYSA-N
Compound name
5-methyl-1,2-oxazole-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

737
Patents

144.99306 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.00034 123.1
[M+Na]+ 167.98228 133.8
[M-H]- 143.98578 126.6
[M+NH4]+ 163.02688 144.7
[M+K]+ 183.95622 132.8
[M+H-H2O]+ 127.99032 118.4
[M+HCOO]- 189.99126 142.4
[M+CH3COO]- 204.00691 170.9
[M+Na-2H]- 165.96773 129.6
[M]+ 144.99251 127.0
[M]- 144.99361 127.0
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

patents stripe