CID 3081365

Isazophos-methyl

Structural Information

Molecular Formula
C7H13ClN3O3PS
SMILES
CC(C)N1C(=NC(=N1)OP(=S)(OC)OC)Cl
InChI
InChI=1S/C7H13ClN3O3PS/c1-5(2)11-6(8)9-7(10-11)14-15(16,12-3)13-4/h5H,1-4H3
InChIKey
DGBPBDHXEBEPBN-UHFFFAOYSA-N
Compound name
(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

29
Patents

285.01038 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.01766 154.9
[M+Na]+ 307.99960 164.8
[M-H]- 284.00310 154.7
[M+NH4]+ 303.04420 170.9
[M+K]+ 323.97354 163.0
[M+H-H2O]+ 268.00764 146.3
[M+HCOO]- 330.00858 170.9
[M+CH3COO]- 344.02423 196.7
[M+Na-2H]- 305.98505 153.2
[M]+ 285.00983 164.1
[M]- 285.01093 164.1
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

patents stripe