CID 3034269

Bis(2-chloroethyl) 2,3-dibromopropyl phosphate

Structural Information

Molecular Formula
C7H13Br2Cl2O4P
SMILES
C(CCl)OP(=O)(OCCCl)OCC(CBr)Br
InChI
InChI=1S/C7H13Br2Cl2O4P/c8-5-7(9)6-15-16(12,13-3-1-10)14-4-2-11/h7H,1-6H2
InChIKey
YEBDLDYNNCWRPA-UHFFFAOYSA-N
Compound name
bis(2-chloroethyl) 2,3-dibromopropyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.82953 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.83681 175.6
[M+Na]+ 442.81875 187.3
[M-H]- 418.82225 178.6
[M+NH4]+ 437.86335 192.6
[M+K]+ 458.79269 169.0
[M+H-H2O]+ 402.82679 182.3
[M+HCOO]- 464.82773 186.0
[M+CH3COO]- 478.84338 216.5
[M+Na-2H]- 440.80420 178.1
[M]+ 419.82898 215.6
[M]- 419.83008 215.6
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.