CID 103339

3-chloro-5-methoxyphenol

Structural Information

Molecular Formula
C7H7ClO2
SMILES
COC1=CC(=CC(=C1)O)Cl
InChI
InChI=1S/C7H7ClO2/c1-10-7-3-5(8)2-6(9)4-7/h2-4,9H,1H3
InChIKey
LZVYZZFCAMPFOQ-UHFFFAOYSA-N
Compound name
3-chloro-5-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

322
Patents

158.01346 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02074 126.0
[M+Na]+ 181.00268 140.6
[M+NH4]+ 176.04728 135.4
[M+K]+ 196.97662 133.9
[M-H]- 157.00618 128.2
[M+Na-2H]- 178.98813 133.7
[M]+ 158.01291 129.1
[M]- 158.01401 129.1
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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