CID 6448151

82885-69-6

Structural Information

Molecular Formula
C18H13ClO3
SMILES
C1=CC(=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl)/C=C/C(=O)O
InChI
InChI=1S/C18H13ClO3/c19-16-8-4-13(5-9-16)6-10-17(20)15-3-1-2-14(12-15)7-11-18(21)22/h1-12H,(H,21,22)/b10-6+,11-7+
InChIKey
AZKCOFASXHCXJZ-JMQWPVDRSA-N
Compound name
(E)-3-[3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

312.05533 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.06261 170.6
[M+Na]+ 335.04455 184.9
[M+NH4]+ 330.08915 177.5
[M+K]+ 351.01849 176.8
[M-H]- 311.04805 173.3
[M+Na-2H]- 333.03000 177.9
[M]+ 312.05478 173.6
[M]- 312.05588 173.6
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

patents stripe