CID 66846845

5-chloro-2-cyclopropoxybenzoic acid

Structural Information

Molecular Formula
C10H9ClO3
SMILES
C1CC1OC2=C(C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C10H9ClO3/c11-6-1-4-9(14-7-2-3-7)8(5-6)10(12)13/h1,4-5,7H,2-3H2,(H,12,13)
InChIKey
ILSPDJOIVMIHPZ-UHFFFAOYSA-N
Compound name
5-chloro-2-cyclopropyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

212.02402 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.031296 137.2
[M+Na]+ 235.013238 147.8
[M-H]- 211.016744 143.8
[M+NH4]+ 230.057843 151.5
[M+K]+ 250.987178 143.4
[M+H-H2O]+ 195.021280 132.0
[M+HCOO]- 257.022221 155.9
[M+CH3COO]- 271.037871 185.7
[M+Na-2H]- 232.998686 142.2
[M]+ 212.02347142 142.5
[M]- 212.02456858 142.5
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