CID 6447770

(e)-2-(3,4-dichlorostyryl)-4,4-dimethyl-2-oxazoline hydrochloride

Structural Information

Molecular Formula
C13H13Cl2NO
SMILES
CC1(COC(=N1)/C=C/C2=CC(=C(C=C2)Cl)Cl)C
InChI
InChI=1S/C13H13Cl2NO/c1-13(2)8-17-12(16-13)6-4-9-3-5-10(14)11(15)7-9/h3-7H,8H2,1-2H3/b6-4+
InChIKey
JHQMHPARFDHQHV-GQCTYLIASA-N
Compound name
2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0374 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04468 157.2
[M+Na]+ 292.02662 168.3
[M-H]- 268.03012 162.9
[M+NH4]+ 287.07122 176.5
[M+K]+ 308.00056 162.8
[M+H-H2O]+ 252.03466 151.7
[M+HCOO]- 314.03560 169.5
[M+CH3COO]- 328.05125 193.6
[M+Na-2H]- 290.01207 160.6
[M]+ 269.03685 161.3
[M]- 269.03795 161.3
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.