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

724
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

literature stripe

Patent stripe

patents stripe