CID 135410032

105392-26-5

Structural Information

Molecular Formula
C14H12Cl2FNO3
SMILES
COC(=O)/C(=C(/C1=CC(=C(C=C1Cl)Cl)F)\O)/C=NC2CC2
InChI
InChI=1S/C14H12Cl2FNO3/c1-21-14(20)9(6-18-7-2-3-7)13(19)8-4-12(17)11(16)5-10(8)15/h4-7,19H,2-3H2,1H3/b13-9-,18-6?
InChIKey
SOERDDQRVKVCEI-GLNOBURYSA-N
Compound name
methyl (Z)-2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.01782 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.02510 160.0
[M+Na]+ 354.00704 169.7
[M-H]- 330.01054 165.6
[M+NH4]+ 349.05164 170.6
[M+K]+ 369.98098 163.0
[M+H-H2O]+ 314.01508 154.3
[M+HCOO]- 376.01602 172.6
[M+CH3COO]- 390.03167 210.2
[M+Na-2H]- 351.99249 159.8
[M]+ 331.01727 165.7
[M]- 331.01837 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.