CID 5388706

Nsc638184

Structural Information

Molecular Formula
C15H11FO2
SMILES
C1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)F)/C(=O)O
InChI
InChI=1S/C15H11FO2/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-10H,(H,17,18)/b14-10-
InChIKey
SHVCVQLLRDIIKK-UVTDQMKNSA-N
Compound name
(Z)-3-(4-fluorophenyl)-2-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07431 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08159 152.3
[M+Na]+ 265.06353 159.1
[M-H]- 241.06703 156.3
[M+NH4]+ 260.10813 168.6
[M+K]+ 281.03747 154.5
[M+H-H2O]+ 225.07157 144.4
[M+HCOO]- 287.07251 172.7
[M+CH3COO]- 301.08816 189.7
[M+Na-2H]- 263.04898 155.6
[M]+ 242.07376 149.3
[M]- 242.07486 149.3
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.