CID 99255

74038-40-7

Structural Information

Molecular Formula
C15H23Cl2O3P
SMILES
CCCCOP(=O)(CC1=CC(=C(C=C1)Cl)Cl)OCCCC
InChI
InChI=1S/C15H23Cl2O3P/c1-3-5-9-19-21(18,20-10-6-4-2)12-13-7-8-14(16)15(17)11-13/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKey
VQXIGOHNFWMFLY-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-(dibutoxyphosphorylmethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.07617 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.08345 179.6
[M+Na]+ 375.06539 187.8
[M-H]- 351.06889 181.5
[M+NH4]+ 370.10999 195.4
[M+K]+ 391.03933 182.2
[M+H-H2O]+ 335.07343 172.6
[M+HCOO]- 397.07437 197.0
[M+CH3COO]- 411.09002 212.2
[M+Na-2H]- 373.05084 179.6
[M]+ 352.07562 190.2
[M]- 352.07672 190.2
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.