CID 520014

Butylphosphonic dichloride

Structural Information

Molecular Formula
C4H9Cl2OP
SMILES
CCCCP(=O)(Cl)Cl
InChI
InChI=1S/C4H9Cl2OP/c1-2-3-4-8(5,6)7/h2-4H2,1H3
InChIKey
YITVQRWHXAYYIX-UHFFFAOYSA-N
Compound name
1-dichlorophosphorylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

173.9768 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98408 132.0
[M+Na]+ 196.96602 141.8
[M-H]- 172.96952 131.3
[M+NH4]+ 192.01062 154.5
[M+K]+ 212.93996 138.0
[M+H-H2O]+ 156.97406 128.0
[M+HCOO]- 218.97500 150.9
[M+CH3COO]- 232.99065 178.4
[M+Na-2H]- 194.95147 136.3
[M]+ 173.97625 137.1
[M]- 173.97735 137.1
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