CID 23221707

2344685-08-9

Structural Information

Molecular Formula
C4H4ClNO
SMILES
CC1=COC(=N1)Cl
InChI
InChI=1S/C4H4ClNO/c1-3-2-7-4(5)6-3/h2H,1H3
InChIKey
VCVKQIYXGLJXKP-UHFFFAOYSA-N
Compound name
2-chloro-4-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

116.99814 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.00542 116.4
[M+Na]+ 139.98736 127.5
[M-H]- 115.99086 119.8
[M+NH4]+ 135.03196 139.3
[M+K]+ 155.96130 126.6
[M+H-H2O]+ 99.995400 111.8
[M+HCOO]- 161.99634 136.6
[M+CH3COO]- 176.01199 166.0
[M+Na-2H]- 137.97281 124.6
[M]+ 116.99759 119.7
[M]- 116.99869 119.7
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