CID 115796

64050-72-2

Structural Information

Molecular Formula
C4H7Br2Cl2O4P
SMILES
COP(=O)(OC)OC(C(Cl)(Br)Br)Cl
InChI
InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(7)4(5,6)8/h3H,1-2H3
InChIKey
BAVBTSMRGZYBOQ-UHFFFAOYSA-N
Compound name
(2,2-dibromo-1,2-dichloroethyl) dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.7826 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.78988 166.2
[M+Na]+ 400.77182 179.1
[M-H]- 376.77532 170.0
[M+NH4]+ 395.81642 184.5
[M+K]+ 416.74576 161.7
[M+H-H2O]+ 360.77986 173.7
[M+HCOO]- 422.78080 176.2
[M+CH3COO]- 436.79645 210.3
[M+Na-2H]- 398.75727 170.6
[M]+ 377.78205 204.8
[M]- 377.78315 204.8
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.