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

17
Patents

326.00082 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.00810 162.3
[M+Na]+ 348.99004 169.6
[M-H]- 324.99354 160.8
[M+NH4]+ 344.03464 178.9
[M+K]+ 364.96398 166.3
[M+H-H2O]+ 308.99808 158.6
[M+HCOO]- 370.99902 172.8
[M+CH3COO]- 385.01467 206.1
[M+Na-2H]- 346.97549 161.0
[M]+ 326.00027 172.1
[M]- 326.00137 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