CID 52504

73791-41-0

Structural Information

Molecular Formula
C15H14AsCl3O4
SMILES
C1=CC=C(C(=C1)Cl)[As](=O)(CC(COC2=C(C=C(C=C2)Cl)Cl)O)O
InChI
InChI=1S/C15H14AsCl3O4/c17-10-5-6-15(14(19)7-10)23-9-11(20)8-16(21,22)12-3-1-2-4-13(12)18/h1-7,11,20H,8-9H2,(H,21,22)
InChIKey
SHUMTTSVSADQNB-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]arsinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.91736 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.92464 185.5
[M+Na]+ 460.90658 193.9
[M-H]- 436.91008 188.0
[M+NH4]+ 455.95118 197.5
[M+K]+ 476.88052 187.0
[M+H-H2O]+ 420.91462 180.6
[M+HCOO]- 482.91556 189.4
[M+CH3COO]- 496.93121 210.2
[M+Na-2H]- 458.89203 186.4
[M]+ 437.91681 190.8
[M]- 437.91791 190.8
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.