CID 53235546

Fenoxasulfone

Structural Information

Molecular Formula
C14H17Cl2NO4S
SMILES
CCOC1=C(C=C(C(=C1)Cl)CS(=O)(=O)C2=NOC(C2)(C)C)Cl
InChI
InChI=1S/C14H17Cl2NO4S/c1-4-20-12-6-10(15)9(5-11(12)16)8-22(18,19)13-7-14(2,3)21-17-13/h5-6H,4,7-8H2,1-3H3
InChIKey
ACDZDIIWZVQMIX-UHFFFAOYSA-N
Compound name
3-[(2,5-dichloro-4-ethoxyphenyl)methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7175
Patents

365.02554 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.03282 175.9
[M+Na]+ 388.01476 187.4
[M-H]- 364.01826 182.9
[M+NH4]+ 383.05936 192.3
[M+K]+ 403.98870 183.3
[M+H-H2O]+ 348.02280 171.9
[M+HCOO]- 410.02374 182.6
[M+CH3COO]- 424.03939 207.2
[M+Na-2H]- 386.00021 177.4
[M]+ 365.02499 186.1
[M]- 365.02609 186.1
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

patents stripe