CID 26176

Tris(1-chloro-2-propyl) phosphate

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

55
References

4913
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

literature stripe

Patent stripe

patents stripe