CID 47815

66108-37-0

Structural Information

Molecular Formula
C11H18Br2Cl5O4P
SMILES
C(C(CCl)OP(=O)(OCC(CCl)(CBr)CBr)OC(CCl)CCl)Cl
InChI
InChI=1S/C11H18Br2Cl5O4P/c12-5-11(6-13,7-18)8-20-23(19,21-9(1-14)2-15)22-10(3-16)4-17/h9-10H,1-8H2
InChIKey
XPNOZWKYSGBXLU-UHFFFAOYSA-N
Compound name
[2,2-bis(bromomethyl)-3-chloropropyl] bis(1,3-dichloropropan-2-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

38
Patents

577.7752 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.78248 199.3
[M+Na]+ 600.76442 209.9
[M-H]- 576.76792 200.0
[M+NH4]+ 595.80902 211.1
[M+K]+ 616.73836 191.2
[M+H-H2O]+ 560.77246 206.2
[M+HCOO]- 622.77340 194.6
[M+CH3COO]- 636.78905 236.0
[M+Na-2H]- 598.74987 198.0
[M]+ 577.77465 232.8
[M]- 577.77575 232.8
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