CID 23075515

(4-chloro-phenyl)-prop-2-ynyloxy-acetic acid

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
6
Annotation Hits

0
References

34
Patents

224.02402 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.031296 146.3
[M+Na]+ 247.013238 156.8
[M-H]- 223.016744 147.5
[M+NH4]+ 242.057843 162.7
[M+K]+ 262.987178 151.5
[M+H-H2O]+ 207.021280 135.8
[M+HCOO]- 269.022221 158.3
[M+CH3COO]- 283.037871 192.7
[M+Na-2H]- 244.998686 148.8
[M]+ 224.02347142 143.6
[M]- 224.02456858 143.6
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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