CID 6446662

Tl 647

Structural Information

Molecular Formula
C6H10Cl3OP
SMILES
CCCC/C(=C/P(=O)(Cl)Cl)/Cl
InChI
InChI=1S/C6H10Cl3OP/c1-2-3-4-6(7)5-11(8,9)10/h5H,2-4H2,1H3/b6-5-
InChIKey
LMKFDUVACNJAEN-WAYWQWQTSA-N
Compound name
(Z)-2-chloro-1-dichlorophosphorylhex-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.95349 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.96077 144.7
[M+Na]+ 256.94271 153.9
[M-H]- 232.94621 143.0
[M+NH4]+ 251.98731 164.8
[M+K]+ 272.91665 148.2
[M+H-H2O]+ 216.95075 141.3
[M+HCOO]- 278.95169 156.8
[M+CH3COO]- 292.96734 188.9
[M+Na-2H]- 254.92816 146.0
[M]+ 233.95294 149.1
[M]- 233.95404 149.1
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.