CID 11099860

4-chloro-3-methoxyphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

158.01346 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.020736 125.9
[M+Na]+ 181.002678 136.4
[M-H]- 157.006184 129.0
[M+NH4]+ 176.047283 147.6
[M+K]+ 196.976618 133.2
[M+H-H2O]+ 141.010720 122.2
[M+HCOO]- 203.011661 145.6
[M+CH3COO]- 217.027311 172.8
[M+Na-2H]- 178.988126 133.0
[M]+ 158.01291142 128.8
[M]- 158.01400858 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