CID 2731512

Hms1667n21

Structural Information

Molecular Formula
C15H9Cl2N3O2
SMILES
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=C(C#N)C#N)OC
InChI
InChI=1S/C15H9Cl2N3O2/c1-8-12(15(21-2)9(6-18)7-19)14(20-22-8)13-10(16)4-3-5-11(13)17/h3-5H,1-2H3
InChIKey
ZCOFIUWALSILHN-UHFFFAOYSA-N
Compound name
2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-methoxymethylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

333.00717 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.014446 176.4
[M+Na]+ 355.996388 188.4
[M-H]- 331.999894 179.8
[M+NH4]+ 351.040993 185.7
[M+K]+ 371.970328 181.8
[M+H-H2O]+ 316.004430 160.5
[M+HCOO]- 378.005371 180.9
[M+CH3COO]- 392.021021 230.3
[M+Na-2H]- 353.981836 174.3
[M]+ 333.00662142 172.2
[M]- 333.00771858 172.2
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

No patent data available for this compound.