CID 3041216

P-1902

Structural Information

Molecular Formula
C12H13Cl2NO2
SMILES
CC1(COC(=N1)COC2=C(C=C(C=C2)Cl)Cl)C
InChI
InChI=1S/C12H13Cl2NO2/c1-12(2)7-17-11(15-12)6-16-10-4-3-8(13)5-9(10)14/h3-5H,6-7H2,1-2H3
InChIKey
PVPOGZXBQSKMAC-UHFFFAOYSA-N
Compound name
2-[(2,4-dichlorophenoxy)methyl]-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.03235 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.03963 155.7
[M+Na]+ 296.02157 166.8
[M-H]- 272.02507 161.5
[M+NH4]+ 291.06617 174.7
[M+K]+ 311.99551 162.6
[M+H-H2O]+ 256.02961 150.2
[M+HCOO]- 318.03055 168.4
[M+CH3COO]- 332.04620 194.1
[M+Na-2H]- 294.00702 159.8
[M]+ 273.03180 161.6
[M]- 273.03290 161.6
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.