CID 2118093

428504-19-2

Structural Information

Molecular Formula
C11H9ClO3
SMILES
COC1=C(C(=CC(=C1)C=O)Cl)OCC#C
InChI
InChI=1S/C11H9ClO3/c1-3-4-15-11-9(12)5-8(7-13)6-10(11)14-2/h1,5-7H,4H2,2H3
InChIKey
GZMMTXTYVLJLFM-UHFFFAOYSA-N
Compound name
3-chloro-5-methoxy-4-prop-2-ynoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02402 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.031296 141.7
[M+Na]+ 247.013238 154.7
[M-H]- 223.016744 144.6
[M+NH4]+ 242.057843 159.5
[M+K]+ 262.987178 149.6
[M+H-H2O]+ 207.021280 131.3
[M+HCOO]- 269.022221 156.8
[M+CH3COO]- 283.037871 195.5
[M+Na-2H]- 244.998686 145.9
[M]+ 224.02347142 142.5
[M]- 224.02456858 142.5
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

patents stripe