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
2
Annotation Hits

0
References

335
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 125.9
[M+Na]+ 181.00268 136.4
[M-H]- 157.00618 129.0
[M+NH4]+ 176.04728 147.6
[M+K]+ 196.97662 133.2
[M+H-H2O]+ 141.01072 122.2
[M+HCOO]- 203.01166 145.6
[M+CH3COO]- 217.02731 172.8
[M+Na-2H]- 178.98813 133.0
[M]+ 158.01291 128.8
[M]- 158.01401 128.8
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