CID 98110

73927-24-9

Structural Information

Molecular Formula
C14H11Cl4O2P
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC(=CC=C2)Cl)C(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C14H11Cl4O2P/c15-10-5-4-8-12(9-10)21(20,13(19)14(16,17)18)11-6-2-1-3-7-11/h1-9,13,19H
InChIKey
NHFNXRYSAWRMDP-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-1-[(3-chlorophenyl)-phenylphosphoryl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.92508 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.93236 174.9
[M+Na]+ 404.91430 183.3
[M-H]- 380.91780 176.8
[M+NH4]+ 399.95890 187.9
[M+K]+ 420.88824 176.4
[M+H-H2O]+ 364.92234 168.9
[M+HCOO]- 426.92328 178.8
[M+CH3COO]- 440.93893 210.1
[M+Na-2H]- 402.89975 175.6
[M]+ 381.92453 177.6
[M]- 381.92563 177.6
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.