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]+ 213.03130 137.2
[M+Na]+ 235.01324 147.8
[M-H]- 211.01674 143.8
[M+NH4]+ 230.05784 151.5
[M+K]+ 250.98718 143.4
[M+H-H2O]+ 195.02128 132.0
[M+HCOO]- 257.02222 155.9
[M+CH3COO]- 271.03787 185.7
[M+Na-2H]- 232.99869 142.2
[M]+ 212.02347 142.5
[M]- 212.02457 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