CID 23075515

655223-09-9

Structural Information

Molecular Formula
C11H9ClO3
SMILES
C#CCOC(C1=CC=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C11H9ClO3/c1-2-7-15-10(11(13)14)8-3-5-9(12)6-4-8/h1,3-6,10H,7H2,(H,13,14)
InChIKey
UODLIGAEPGYRCI-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-prop-2-ynoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

37
Patents

224.02402 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03130 142.6
[M+Na]+ 247.01324 154.6
[M+NH4]+ 242.05784 146.6
[M+K]+ 262.98718 146.2
[M-H]- 223.01674 135.4
[M+Na-2H]- 244.99869 145.3
[M]+ 224.02347 141.6
[M]- 224.02457 141.6
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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