CID 75939

Cela k-37

Structural Information

Molecular Formula
C10H12BrCl2O2PS
SMILES
CCP(=S)(OC)OCC1=CC(=C(C=C1Cl)Br)Cl
InChI
InChI=1S/C10H12BrCl2O2PS/c1-3-16(17,14-2)15-6-7-4-10(13)8(11)5-9(7)12/h4-5H,3,6H2,1-2H3
InChIKey
OYQUDUSSIXTVCZ-UHFFFAOYSA-N
Compound name
(4-bromo-2,5-dichlorophenyl)methoxy-ethyl-methoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.88562 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.89290 161.0
[M+Na]+ 398.87484 165.2
[M+NH4]+ 393.91944 165.7
[M+K]+ 414.84878 162.8
[M-H]- 374.87834 160.8
[M+Na-2H]- 396.86029 163.4
[M]+ 375.88507 161.3
[M]- 375.88617 161.3
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.