CID 3034138

3186-27-4

Structural Information

Molecular Formula
C9H18ClO5P
SMILES
CC(C)(C)OC/C(=C/OP(=O)(OC)OC)/Cl
InChI
InChI=1S/C9H18ClO5P/c1-9(2,3)14-6-8(10)7-15-16(11,12-4)13-5/h7H,6H2,1-5H3/b8-7-
InChIKey
GZYOOBPIOVWSJX-FPLPWBNLSA-N
Compound name
[(Z)-2-chloro-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.05804 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06532 158.6
[M+Na]+ 295.04726 166.4
[M-H]- 271.05076 158.3
[M+NH4]+ 290.09186 177.0
[M+K]+ 311.02120 165.5
[M+H-H2O]+ 255.05530 153.2
[M+HCOO]- 317.05624 179.9
[M+CH3COO]- 331.07189 195.3
[M+Na-2H]- 293.03271 161.9
[M]+ 272.05749 168.9
[M]- 272.05859 168.9
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.