CID 4465631

2,2,2-tribromoethyl dichlorophosphate

Structural Information

Molecular Formula
C2H2Br3Cl2O2P
SMILES
C(C(Br)(Br)Br)OP(=O)(Cl)Cl
InChI
InChI=1S/C2H2Br3Cl2O2P/c3-2(4,5)1-9-10(6,7)8/h1H2
InChIKey
RGBNHRWLNSWPPI-UHFFFAOYSA-N
Compound name
1,1,1-tribromo-2-dichlorophosphoryloxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

395.67197 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.67925 167.1
[M+Na]+ 418.66119 178.1
[M-H]- 394.66469 170.7
[M+NH4]+ 413.70579 182.4
[M+K]+ 434.63513 159.5
[M+H-H2O]+ 378.66923 181.0
[M+HCOO]- 440.67017 173.1
[M+CH3COO]- 454.68582 220.4
[M+Na-2H]- 416.64664 170.3
[M]+ 395.67142 208.7
[M]- 395.67252 208.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe