CID 4795249

Chembl1682070

Structural Information

Molecular Formula
C14H11BrFNO2
SMILES
C1=CC(=CC=C1CNC(=O)C2=C(C=CC(=C2)Br)O)F
InChI
InChI=1S/C14H11BrFNO2/c15-10-3-6-13(18)12(7-10)14(19)17-8-9-1-4-11(16)5-2-9/h1-7,18H,8H2,(H,17,19)
InChIKey
CTMQJYBYUCFJGN-UHFFFAOYSA-N
Compound name
5-bromo-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.99573 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.00301 164.5
[M+Na]+ 345.98495 174.9
[M-H]- 321.98845 171.2
[M+NH4]+ 341.02955 181.4
[M+K]+ 361.95889 162.1
[M+H-H2O]+ 305.99299 162.1
[M+HCOO]- 367.99393 184.1
[M+CH3COO]- 382.00958 203.1
[M+Na-2H]- 343.97040 169.0
[M]+ 322.99518 181.0
[M]- 322.99628 181.0
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

No patent data available for this compound.