CID 6433343

Sd 3959 (shell)

Structural Information

Molecular Formula
C11H20ClO6P
SMILES
CC(C)OP(=O)(OCC(C)Cl)O/C(=C\C(=O)OC)/C
InChI
InChI=1S/C11H20ClO6P/c1-8(2)17-19(14,16-7-9(3)12)18-10(4)6-11(13)15-5/h6,8-9H,7H2,1-5H3/b10-6-
InChIKey
UOCYRKYVAXYZQX-POHAHGRESA-N
Compound name
methyl (Z)-3-[2-chloropropoxy(propan-2-yloxy)phosphoryl]oxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0686 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07588 166.1
[M+Na]+ 337.05782 172.2
[M-H]- 313.06132 165.4
[M+NH4]+ 332.10242 182.4
[M+K]+ 353.03176 171.9
[M+H-H2O]+ 297.06586 160.1
[M+HCOO]- 359.06680 186.0
[M+CH3COO]- 373.08245 204.4
[M+Na-2H]- 335.04327 164.2
[M]+ 314.06805 176.7
[M]- 314.06915 176.7
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.