CID 64534167

1341695-66-6

Structural Information

Molecular Formula
C10H6Cl2O2
SMILES
COC(=O)C#CC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H6Cl2O2/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2,4,6H,1H3
InChIKey
IJHGABMFFRVDDA-UHFFFAOYSA-N
Compound name
methyl 3-(3,4-dichlorophenyl)prop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.97449 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98177 138.4
[M+Na]+ 250.96371 152.5
[M+NH4]+ 246.00831 143.6
[M+K]+ 266.93765 142.7
[M-H]- 226.96721 132.4
[M+Na-2H]- 248.94916 142.6
[M]+ 227.97394 138.5
[M]- 227.97504 138.5
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.