CID 12652105

Ethyl 3-chloro-4-hydroxybenzoate

Structural Information

Molecular Formula
C9H9ClO3
SMILES
CCOC(=O)C1=CC(=C(C=C1)O)Cl
InChI
InChI=1S/C9H9ClO3/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5,11H,2H2,1H3
InChIKey
QBOWIPYEPOVPGR-UHFFFAOYSA-N
Compound name
ethyl 3-chloro-4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

200.02402 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 137.7
[M+Na]+ 223.01324 151.1
[M+NH4]+ 218.05784 145.8
[M+K]+ 238.98718 145.2
[M-H]- 199.01674 138.8
[M+Na-2H]- 220.99869 143.9
[M]+ 200.02347 140.2
[M]- 200.02457 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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