CID 119031150

2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-4,5-dihydro-1,3-oxazole

Structural Information

Molecular Formula
C12H11Cl2NO
SMILES
CC1(C(=C)OC(=N1)C2=CC(=CC(=C2)Cl)Cl)C
InChI
InChI=1S/C12H11Cl2NO/c1-7-12(2,3)15-11(16-7)8-4-9(13)6-10(14)5-8/h4-6H,1H2,2-3H3
InChIKey
NUHZEWAYELBUEX-UHFFFAOYSA-N
Compound name
2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

1
Patents

255.02177 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.02905 151.5
[M+Na]+ 278.01099 163.9
[M-H]- 254.01449 157.7
[M+NH4]+ 273.05559 171.6
[M+K]+ 293.98493 158.6
[M+H-H2O]+ 238.01903 146.6
[M+HCOO]- 300.01997 164.2
[M+CH3COO]- 314.03562 165.2
[M+Na-2H]- 275.99644 154.8
[M]+ 255.02122 155.7
[M]- 255.02232 155.7
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

No patent data available for this compound.