CID 6433603

Crotyl 2,4-dichlorophenoxyacetate

Structural Information

Molecular Formula
C12H12Cl2O3
SMILES
C/C=C/COC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H12Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h2-5,7H,6,8H2,1H3/b3-2+
InChIKey
BZHQSLLUNKPKPL-NSCUHMNNSA-N
Compound name
[(E)-but-2-enyl] 2-(2,4-dichlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.01636 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.023636 154.9
[M+Na]+ 297.005578 164.5
[M-H]- 273.009084 158.1
[M+NH4]+ 292.050183 172.9
[M+K]+ 312.979518 159.3
[M+H-H2O]+ 257.013620 150.7
[M+HCOO]- 319.014561 169.0
[M+CH3COO]- 333.030211 194.8
[M+Na-2H]- 294.991026 157.9
[M]+ 274.01581142 161.9
[M]- 274.01690858 161.9
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.