CID 15479607

3-chloro-1,2-oxazole-5-carbaldehyde

Structural Information

Molecular Formula
C4H2ClNO2
SMILES
C1=C(ON=C1Cl)C=O
InChI
InChI=1S/C4H2ClNO2/c5-4-1-3(2-7)8-6-4/h1-2H
InChIKey
PSJWKHYVHBXVQL-UHFFFAOYSA-N
Compound name
3-chloro-1,2-oxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

130.9774 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.98468 118.1
[M+Na]+ 153.96662 129.5
[M-H]- 129.97012 121.6
[M+NH4]+ 149.01122 140.3
[M+K]+ 169.94056 128.4
[M+H-H2O]+ 113.97466 113.5
[M+HCOO]- 175.97560 138.7
[M+CH3COO]- 189.99125 167.0
[M+Na-2H]- 151.95207 126.3
[M]+ 130.97685 122.2
[M]- 130.97795 122.2
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