CID 3037986

Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester

Structural Information

Molecular Formula
C14H20ClO5P
SMILES
CC(C)(C)OC/C(=C/OP(=O)(OC)OC1=CC=CC=C1)/Cl
InChI
InChI=1S/C14H20ClO5P/c1-14(2,3)18-10-12(15)11-19-21(16,17-4)20-13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3/b12-11-
InChIKey
GJWIINZJWZZPNT-QXMHVHEDSA-N
Compound name
[(Z)-2-chloro-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl] methyl phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0737 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.08098 175.3
[M+Na]+ 357.06292 181.9
[M-H]- 333.06642 177.7
[M+NH4]+ 352.10752 190.7
[M+K]+ 373.03686 179.7
[M+H-H2O]+ 317.07096 167.7
[M+HCOO]- 379.07190 196.4
[M+CH3COO]- 393.08755 205.7
[M+Na-2H]- 355.04837 178.2
[M]+ 334.07315 184.7
[M]- 334.07425 184.7
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.