CID 199424

Bayer 52957

Structural Information

Molecular Formula
C11H13ClNO4PS
SMILES
CCOP(=S)(OCC)OC1=NOC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C11H13ClNO4PS/c1-3-14-18(19,15-4-2)17-11-9-7-8(12)5-6-10(9)16-13-11/h5-7H,3-4H2,1-2H3
InChIKey
LHTFYFJZBOWICX-UHFFFAOYSA-N
Compound name
(5-chloro-1,2-benzoxazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.99915 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.00643 166.4
[M+Na]+ 343.98837 178.8
[M+NH4]+ 339.03297 173.6
[M+K]+ 359.96231 173.2
[M-H]- 319.99187 167.6
[M+Na-2H]- 341.97382 170.1
[M]+ 320.99860 169.2
[M]- 320.99970 169.2
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.