CID 13612845

Flamal 315a

Structural Information

Molecular Formula
C9H15Br3Cl3O3P
SMILES
C(C(CCl)Br)P(=O)(OC(CCl)CBr)OC(CCl)CBr
InChI
InChI=1S/C9H15Br3Cl3O3P/c10-1-8(4-14)17-19(16,6-7(12)3-13)18-9(2-11)5-15/h7-9H,1-6H2
InChIKey
OIIKUHVETMMKOU-UHFFFAOYSA-N
Compound name
1-bis[(1-bromo-3-chloropropan-2-yl)oxy]phosphoryl-2-bromo-3-chloropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.7374 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.74468 191.7
[M+Na]+ 566.72662 200.6
[M-H]- 542.73012 194.2
[M+NH4]+ 561.77122 203.6
[M+K]+ 582.70056 181.2
[M+H-H2O]+ 526.73466 204.5
[M+HCOO]- 588.73560 192.8
[M+CH3COO]- 602.75125 235.7
[M+Na-2H]- 564.71207 189.9
[M]+ 543.73685 233.4
[M]- 543.73795 233.4
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.