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 169.5
[M+Na]+ 335.04455 177.3
[M-H]- 311.04805 174.8
[M+NH4]+ 330.08915 184.1
[M+K]+ 351.01849 170.1
[M+H-H2O]+ 295.05259 163.0
[M+HCOO]- 357.05353 186.1
[M+CH3COO]- 371.06918 200.8
[M+Na-2H]- 333.03000 170.8
[M]+ 312.05478 171.4
[M]- 312.05588 171.4
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