CID 139202885

Cpam

Structural Information

Molecular Formula
C15H11BrFNO3
SMILES
C1=CC(=C(C=C1/C=C/C(=O)NC2=C(C=C(C=C2)F)Br)O)O
InChI
InChI=1S/C15H11BrFNO3/c16-11-8-10(17)3-4-12(11)18-15(21)6-2-9-1-5-13(19)14(20)7-9/h1-8,19-20H,(H,18,21)/b6-2+
InChIKey
XOHNWHLPLQQICZ-QHHAFSJGSA-N
Compound name
(E)-N-(2-bromo-4-fluorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

350.99063 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.99791 170.7
[M+Na]+ 373.97985 181.2
[M-H]- 349.98335 176.3
[M+NH4]+ 369.02445 185.9
[M+K]+ 389.95379 167.5
[M+H-H2O]+ 333.98789 168.1
[M+HCOO]- 395.98883 188.9
[M+CH3COO]- 410.00448 205.6
[M+Na-2H]- 371.96530 173.5
[M]+ 350.99008 186.7
[M]- 350.99118 186.7
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.