CID 140336

2-chloro-5-methoxyphenol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

335
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

No literature data available for this compound.

Patent stripe

patents stripe