CID 87795

Dibutyl 2,2-dichlorovinyl phosphate

Structural Information

Molecular Formula
C10H19Cl2O4P
SMILES
CCCCOP(=O)(OCCCC)OC=C(Cl)Cl
InChI
InChI=1S/C10H19Cl2O4P/c1-3-5-7-14-17(13,15-8-6-4-2)16-9-10(11)12/h9H,3-8H2,1-2H3
InChIKey
LZILLTAAQRALBQ-UHFFFAOYSA-N
Compound name
dibutyl 2,2-dichloroethenyl phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

16
Patents

304.0398 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04708 164.8
[M+Na]+ 327.02902 172.2
[M-H]- 303.03252 163.5
[M+NH4]+ 322.07362 182.2
[M+K]+ 343.00296 168.3
[M+H-H2O]+ 287.03706 159.5
[M+HCOO]- 349.03800 182.1
[M+CH3COO]- 363.05365 201.0
[M+Na-2H]- 325.01447 165.6
[M]+ 304.03925 175.4
[M]- 304.04035 175.4
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