CID 4312004

(3-chloro-4-methoxyphenyl)methanol

Structural Information

Molecular Formula
C8H9ClO2
SMILES
COC1=C(C=C(C=C1)CO)Cl
InChI
InChI=1S/C8H9ClO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,10H,5H2,1H3
InChIKey
TZHJVLGDHRXGDX-UHFFFAOYSA-N
Compound name
(3-chloro-4-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

172.02911 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03639 130.6
[M+Na]+ 195.01833 145.0
[M+NH4]+ 190.06293 139.9
[M+K]+ 210.99227 138.1
[M-H]- 171.02183 132.8
[M+Na-2H]- 193.00378 138.0
[M]+ 172.02856 133.6
[M]- 172.02966 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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Patent stripe

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