CID 2775134

(2-chloro-3,4-dimethoxyphenyl)methanol

Structural Information

Molecular Formula
C9H11ClO3
SMILES
COC1=C(C(=C(C=C1)CO)Cl)OC
InChI
InChI=1S/C9H11ClO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4,11H,5H2,1-2H3
InChIKey
ZXYBQLFOEYWYBM-UHFFFAOYSA-N
Compound name
(2-chloro-3,4-dimethoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

202.03967 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04695 137.5
[M+Na]+ 225.02889 148.0
[M-H]- 201.03239 140.7
[M+NH4]+ 220.07349 157.8
[M+K]+ 241.00283 144.9
[M+H-H2O]+ 185.03693 133.4
[M+HCOO]- 247.03787 156.8
[M+CH3COO]- 261.05352 182.1
[M+Na-2H]- 223.01434 142.9
[M]+ 202.03912 143.1
[M]- 202.04022 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe