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 140.8
[M+Na]+ 250.96371 154.7
[M-H]- 226.96721 143.3
[M+NH4]+ 246.00831 158.9
[M+K]+ 266.93765 147.8
[M+H-H2O]+ 210.97175 131.7
[M+HCOO]- 272.97269 151.5
[M+CH3COO]- 286.98834 195.2
[M+Na-2H]- 248.94916 144.8
[M]+ 227.97394 141.0
[M]- 227.97504 141.0
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

patents stripe