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

1
Patents

224.02402 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03130 141.7
[M+Na]+ 247.01324 154.7
[M-H]- 223.01674 144.6
[M+NH4]+ 242.05784 159.5
[M+K]+ 262.98718 149.6
[M+H-H2O]+ 207.02128 131.3
[M+HCOO]- 269.02222 156.8
[M+CH3COO]- 283.03787 195.5
[M+Na-2H]- 244.99869 145.9
[M]+ 224.02347 142.5
[M]- 224.02457 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