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
4
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

literature stripe

Patent stripe

patents stripe