CID 6445988

Oxazole, 4,5-dihydro-2-(2-(3-chlorophenyl)ethenyl)-4,4-dimethyl-

Structural Information

Molecular Formula
C13H14ClNO
SMILES
CC1(COC(=N1)/C=C/C2=CC(=CC=C2)Cl)C
InChI
InChI=1S/C13H14ClNO/c1-13(2)9-16-12(15-13)7-6-10-4-3-5-11(14)8-10/h3-8H,9H2,1-2H3/b7-6+
InChIKey
AWAVMTFWHWRMJD-VOTSOKGWSA-N
Compound name
2-[(E)-2-(3-chlorophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.07639 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.083666 150.8
[M+Na]+ 258.065608 160.9
[M-H]- 234.069114 157.1
[M+NH4]+ 253.110213 170.9
[M+K]+ 274.039548 156.7
[M+H-H2O]+ 218.073650 144.8
[M+HCOO]- 280.074591 168.5
[M+CH3COO]- 294.090241 187.9
[M+Na-2H]- 256.051056 155.8
[M]+ 235.07584142 153.6
[M]- 235.07693858 153.6
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.