CID 75940

2720-18-5

Structural Information

Molecular Formula
C10H12BrCl2O2PS
SMILES
CC(C)OP(=S)(C)OC1=CC(=C(C=C1Cl)Br)Cl
InChI
InChI=1S/C10H12BrCl2O2PS/c1-6(2)14-16(3,17)15-10-5-8(12)7(11)4-9(10)13/h4-6H,1-3H3
InChIKey
XELURNPXOIANMJ-UHFFFAOYSA-N
Compound name
(4-bromo-2,5-dichlorophenoxy)-methyl-propan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.88562 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.89290 163.3
[M+Na]+ 398.87484 177.7
[M-H]- 374.87834 169.6
[M+NH4]+ 393.91944 182.9
[M+K]+ 414.84878 163.3
[M+H-H2O]+ 358.88288 163.5
[M+HCOO]- 420.88382 174.4
[M+CH3COO]- 434.89947 209.5
[M+Na-2H]- 396.86029 163.4
[M]+ 375.88507 189.7
[M]- 375.88617 189.7
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.