CID 13694873

28080-20-8

Structural Information

Molecular Formula
C10H13ClNOPS
SMILES
C[C@@H]1[C@@H](O[P@@](=S)(N1C)Cl)C2=CC=CC=C2
InChI
InChI=1S/C10H13ClNOPS/c1-8-10(9-6-4-3-5-7-9)13-14(11,15)12(8)2/h3-8,10H,1-2H3/t8-,10-,14+/m1/s1
InChIKey
AYEYHZBPPMGEKL-PWZJLYFZSA-N
Compound name
(2R,4R,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

261.0144 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02168 149.0
[M+Na]+ 284.00362 159.6
[M-H]- 260.00712 154.9
[M+NH4]+ 279.04822 169.6
[M+K]+ 299.97756 156.1
[M+H-H2O]+ 244.01166 141.9
[M+HCOO]- 306.01260 166.8
[M+CH3COO]- 320.02825 191.8
[M+Na-2H]- 281.98907 147.6
[M]+ 261.01385 153.0
[M]- 261.01495 153.0
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