CID 6445990

2-(2-(o-chlorophenyl)ethenyl)-4,4-dimethyl-2-oxazoline

Structural Information

Molecular Formula
C13H14ClNO
SMILES
CC1(COC(=N1)/C=C/C2=CC=CC=C2Cl)C
InChI
InChI=1S/C13H14ClNO/c1-13(2)9-16-12(15-13)8-7-10-5-3-4-6-11(10)14/h3-8H,9H2,1-2H3/b8-7+
InChIKey
GDJQJZAGHQHIOX-BQYQJAHWSA-N
Compound name
2-[(E)-2-(2-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]+ 236.08367 150.7
[M+Na]+ 258.06561 165.4
[M+NH4]+ 253.11021 161.1
[M+K]+ 274.03955 157.2
[M-H]- 234.06911 155.5
[M+Na-2H]- 256.05106 159.6
[M]+ 235.07584 154.7
[M]- 235.07694 154.7
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.