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]+ 225.03130 146.3
[M+Na]+ 247.01324 156.8
[M-H]- 223.01674 147.5
[M+NH4]+ 242.05784 162.7
[M+K]+ 262.98718 151.5
[M+H-H2O]+ 207.02128 135.8
[M+HCOO]- 269.02222 158.3
[M+CH3COO]- 283.03787 192.7
[M+Na-2H]- 244.99869 148.8
[M]+ 224.02347 143.6
[M]- 224.02457 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.