CID 118415

33232-87-0

Structural Information

Molecular Formula
C9H12ClO3P
SMILES
CCP(=O)(OC)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H12ClO3P/c1-3-14(11,12-2)13-9-6-4-8(10)5-7-9/h4-7H,3H2,1-2H3
InChIKey
LTMFLDGAGUOMEM-UHFFFAOYSA-N
Compound name
1-chloro-4-[ethyl(methoxy)phosphoryl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02126 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.02854 147.3
[M+Na]+ 257.01048 156.7
[M-H]- 233.01398 150.4
[M+NH4]+ 252.05508 167.1
[M+K]+ 272.98442 154.0
[M+H-H2O]+ 217.01852 140.5
[M+HCOO]- 279.01946 171.9
[M+CH3COO]- 293.03511 188.8
[M+Na-2H]- 254.99593 151.6
[M]+ 234.02071 154.3
[M]- 234.02181 154.3
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.