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]+ 275.02364 154.9
[M+Na]+ 297.00558 164.5
[M-H]- 273.00908 158.1
[M+NH4]+ 292.05018 172.9
[M+K]+ 312.97952 159.3
[M+H-H2O]+ 257.01362 150.7
[M+HCOO]- 319.01456 169.0
[M+CH3COO]- 333.03021 194.8
[M+Na-2H]- 294.99103 157.9
[M]+ 274.01581 161.9
[M]- 274.01691 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.