CID 83717278

3-(4-phenoxyphenyl)prop-2-ynoic acid

Structural Information

Molecular Formula
C15H10O3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C#CC(=O)O
InChI
InChI=1S/C15H10O3/c16-15(17)11-8-12-6-9-14(10-7-12)18-13-4-2-1-3-5-13/h1-7,9-10H,(H,16,17)
InChIKey
XGBAAPQXFZCWGB-UHFFFAOYSA-N
Compound name
3-(4-phenoxyphenyl)prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.06299 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07027 157.9
[M+Na]+ 261.05221 167.7
[M-H]- 237.05571 161.0
[M+NH4]+ 256.09681 172.4
[M+K]+ 277.02615 161.3
[M+H-H2O]+ 221.06025 144.8
[M+HCOO]- 283.06119 174.5
[M+CH3COO]- 297.07684 194.3
[M+Na-2H]- 259.03766 161.4
[M]+ 238.06244 152.3
[M]- 238.06354 152.3
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.