CID 2160983

3-chloro-5-ethoxy-4-propoxybenzaldehyde

Structural Information

Molecular Formula
C12H15ClO3
SMILES
CCCOC1=C(C=C(C=C1Cl)C=O)OCC
InChI
InChI=1S/C12H15ClO3/c1-3-5-16-12-10(13)6-9(8-14)7-11(12)15-4-2/h6-8H,3-5H2,1-2H3
InChIKey
QZBKKPVUZGCHTN-UHFFFAOYSA-N
Compound name
3-chloro-5-ethoxy-4-propoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07097 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07825 149.7
[M+Na]+ 265.06019 159.7
[M-H]- 241.06369 153.8
[M+NH4]+ 260.10479 169.0
[M+K]+ 281.03413 156.2
[M+H-H2O]+ 225.06823 144.7
[M+HCOO]- 287.06917 169.7
[M+CH3COO]- 301.08482 192.8
[M+Na-2H]- 263.04564 154.0
[M]+ 242.07042 157.6
[M]- 242.07152 157.6
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.