CID 65629

Benoxafos

Structural Information

Molecular Formula
C12H14Cl2NO3PS2
SMILES
CCOP(=S)(OCC)SCC1=NC2=C(O1)C(=CC(=C2)Cl)Cl
InChI
InChI=1S/C12H14Cl2NO3PS2/c1-3-16-19(20,17-4-2)21-7-11-15-10-6-8(13)5-9(14)12(10)18-11/h5-6H,3-4,7H2,1-2H3
InChIKey
KEZAYQGUTKCBLO-UHFFFAOYSA-N
Compound name
(5,7-dichloro-1,3-benzoxazol-2-yl)methylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3447
Patents

384.95297 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.96025 174.9
[M+Na]+ 407.94219 186.4
[M-H]- 383.94569 178.7
[M+NH4]+ 402.98679 190.6
[M+K]+ 423.91613 181.6
[M+H-H2O]+ 367.95023 168.8
[M+HCOO]- 429.95117 183.6
[M+CH3COO]- 443.96682 211.9
[M+Na-2H]- 405.92764 174.0
[M]+ 384.95242 187.8
[M]- 384.95352 187.8
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