CID 5706795

385383-36-8

Structural Information

Molecular Formula
C16H13BrO3
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)/C=C/C(=O)O)Br
InChI
InChI=1S/C16H13BrO3/c17-14-6-1-13(2-7-14)11-20-15-8-3-12(4-9-15)5-10-16(18)19/h1-10H,11H2,(H,18,19)/b10-5+
InChIKey
FHMDTYSXDYQHMO-BJMVGYQFSA-N
Compound name
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.00482 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.01210 167.5
[M+Na]+ 354.99404 177.4
[M-H]- 330.99754 175.2
[M+NH4]+ 350.03864 184.2
[M+K]+ 370.96798 165.0
[M+H-H2O]+ 315.00208 166.3
[M+HCOO]- 377.00302 187.1
[M+CH3COO]- 391.01867 201.6
[M+Na-2H]- 352.97949 172.2
[M]+ 332.00427 186.8
[M]- 332.00537 186.8
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.