CID 12909341

3-chloro-5-methoxybenzoic acid

Structural Information

Molecular Formula
C8H7ClO3
SMILES
COC1=CC(=CC(=C1)C(=O)O)Cl
InChI
InChI=1S/C8H7ClO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H,10,11)
InChIKey
RRVHCVOVXPMKGF-UHFFFAOYSA-N
Compound name
3-chloro-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

214
Patents

186.00838 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01566 133.0
[M+Na]+ 208.99760 146.6
[M+NH4]+ 204.04220 141.3
[M+K]+ 224.97154 140.9
[M-H]- 185.00110 134.2
[M+Na-2H]- 206.98305 139.4
[M]+ 186.00783 135.5
[M]- 186.00893 135.5
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

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