CID 22833419

Bis(2-chloro-1-methylethyl) 2-chloropropyl phosphate

Structural Information

Molecular Formula
C9H18Cl3O4P
SMILES
CC(COP(=O)(OC(C)CCl)OC(C)CCl)Cl
InChI
InChI=1S/C9H18Cl3O4P/c1-7(12)6-14-17(13,15-8(2)4-10)16-9(3)5-11/h7-9H,4-6H2,1-3H3
InChIKey
NISNGFDWZYZNPT-UHFFFAOYSA-N
Compound name
bis(1-chloropropan-2-yl) 2-chloropropyl phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

326.00082 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.008096 162.3
[M+Na]+ 348.990038 169.6
[M-H]- 324.993544 160.8
[M+NH4]+ 344.034643 178.9
[M+K]+ 364.963978 166.3
[M+H-H2O]+ 308.998080 158.6
[M+HCOO]- 370.999021 172.8
[M+CH3COO]- 385.014671 206.1
[M+Na-2H]- 346.975486 161.0
[M]+ 326.00027142 172.1
[M]- 326.00136858 172.1
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

patents stripe