CID 3004138

Nsc631509

Structural Information

Molecular Formula
C21H15ClO2
SMILES
C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\C(=O)O)/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H15ClO2/c22-18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)20(21(23)24)16-9-5-2-6-10-16/h1-14H,(H,23,24)/b20-19+
InChIKey
BKHHENUGTSTIAX-FMQUCBEESA-N
Compound name
(E)-3-(4-chlorophenyl)-2,3-diphenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.07605 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.08333 176.8
[M+Na]+ 357.06527 182.6
[M-H]- 333.06877 184.5
[M+NH4]+ 352.10987 189.5
[M+K]+ 373.03921 175.4
[M+H-H2O]+ 317.07331 168.7
[M+HCOO]- 379.07425 191.9
[M+CH3COO]- 393.08990 186.7
[M+Na-2H]- 355.05072 178.4
[M]+ 334.07550 176.2
[M]- 334.07660 176.2
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.