CID 12905099

49783-72-4

Structural Information

Molecular Formula
C5H4ClNO2
SMILES
CC1=NOC(=C1)C(=O)Cl
InChI
InChI=1S/C5H4ClNO2/c1-3-2-4(5(6)8)9-7-3/h2H,1H3
InChIKey
VUBCNGCMOPTDED-UHFFFAOYSA-N
Compound name
3-methyl-1,2-oxazole-5-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

144.99306 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.000336 123.1
[M+Na]+ 167.982278 133.8
[M-H]- 143.985784 126.6
[M+NH4]+ 163.026883 144.7
[M+K]+ 183.956218 132.8
[M+H-H2O]+ 127.990320 118.4
[M+HCOO]- 189.991261 142.4
[M+CH3COO]- 204.006911 170.9
[M+Na-2H]- 165.967726 129.6
[M]+ 144.99251142 127.0
[M]- 144.99360858 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

No literature data available for this compound.

Patent stripe

patents stripe