CID 93460

Pyraclofos

Structural Information

Molecular Formula
C14H18ClN2O3PS
SMILES
CCCSP(=O)(OCC)OC1=CN(N=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3
InChIKey
QHGVXILFMXYDRS-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-[ethoxy(propylsulfanyl)phosphoryl]oxypyrazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

16
References

31763
Patents

360.04642 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.05370 177.7
[M+Na]+ 383.03564 186.4
[M-H]- 359.03914 181.3
[M+NH4]+ 378.08024 191.7
[M+K]+ 399.00958 181.9
[M+H-H2O]+ 343.04368 167.7
[M+HCOO]- 405.04462 195.3
[M+CH3COO]- 419.06027 209.4
[M+Na-2H]- 381.02109 175.8
[M]+ 360.04587 187.0
[M]- 360.04697 187.0
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