CID 2162038

3,5-dichloro-4-(prop-2-yn-1-yloxy)benzaldehyde

Structural Information

Molecular Formula
C10H6Cl2O2
SMILES
C#CCOC1=C(C=C(C=C1Cl)C=O)Cl
InChI
InChI=1S/C10H6Cl2O2/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h1,4-6H,3H2
InChIKey
GBYFSVNODFASGY-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-prop-2-ynoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

227.97449 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98177 136.9
[M+Na]+ 250.96371 151.6
[M+NH4]+ 246.00831 142.3
[M+K]+ 266.93765 141.4
[M-H]- 226.96721 131.2
[M+Na-2H]- 248.94916 141.4
[M]+ 227.97394 137.2
[M]- 227.97504 137.2
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.