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]+ 201.03130 136.2
[M+Na]+ 223.01324 147.0
[M-H]- 199.01674 139.4
[M+NH4]+ 218.05784 156.4
[M+K]+ 238.98718 143.3
[M+H-H2O]+ 183.02128 132.2
[M+HCOO]- 245.02222 155.7
[M+CH3COO]- 259.03787 181.2
[M+Na-2H]- 220.99869 141.6
[M]+ 200.02347 141.1
[M]- 200.02457 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.