CID 152101789

2-(4-ethynyl-2-fluorophenyl)acetic acid

Structural Information

Molecular Formula
C10H7FO2
SMILES
C#CC1=CC(=C(C=C1)CC(=O)O)F
InChI
InChI=1S/C10H7FO2/c1-2-7-3-4-8(6-10(12)13)9(11)5-7/h1,3-5H,6H2,(H,12,13)
InChIKey
VBKBFQFANROPFV-UHFFFAOYSA-N
Compound name
2-(4-ethynyl-2-fluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.04301 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05029 136.9
[M+Na]+ 201.03223 148.8
[M+NH4]+ 196.07683 140.6
[M+K]+ 217.00617 139.9
[M-H]- 177.03573 128.6
[M+Na-2H]- 199.01768 139.3
[M]+ 178.04246 135.3
[M]- 178.04356 135.3
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.