CID 4181655

3-chloro-4-hydroxy-5-methoxybenzyl alcohol

Structural Information

Molecular Formula
C8H9ClO3
SMILES
COC1=C(C(=CC(=C1)CO)Cl)O
InChI
InChI=1S/C8H9ClO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,10-11H,4H2,1H3
InChIKey
VQEZBFOBPUKDGM-UHFFFAOYSA-N
Compound name
2-chloro-4-(hydroxymethyl)-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

188.02402 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03130 133.5
[M+Na]+ 211.01324 144.0
[M-H]- 187.01674 135.4
[M+NH4]+ 206.05784 153.6
[M+K]+ 226.98718 140.2
[M+H-H2O]+ 171.02128 129.9
[M+HCOO]- 233.02222 151.6
[M+CH3COO]- 247.03787 176.5
[M+Na-2H]- 208.99869 138.9
[M]+ 188.02347 136.8
[M]- 188.02457 136.8
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