CID 139022809

2-(chloromethyl)-6-hydroxy-4-methoxybenzaldehyde

Structural Information

Molecular Formula
C9H9ClO3
SMILES
COC1=CC(=C(C(=C1)O)C=O)CCl
InChI
InChI=1S/C9H9ClO3/c1-13-7-2-6(4-10)8(5-11)9(12)3-7/h2-3,5,12H,4H2,1H3
InChIKey
BIRDGMHGUQXHJA-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6-hydroxy-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.02402 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.031296 136.2
[M+Na]+ 223.013238 147.0
[M-H]- 199.016744 139.4
[M+NH4]+ 218.057843 156.4
[M+K]+ 238.987178 143.3
[M+H-H2O]+ 183.021280 132.2
[M+HCOO]- 245.022221 155.7
[M+CH3COO]- 259.037871 181.2
[M+Na-2H]- 220.998686 141.6
[M]+ 200.02347142 141.1
[M]- 200.02456858 141.1
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.