CID 986640

N-(4-bromo-2-fluorophenyl)biphenyl-4-carboxamide

Structural Information

Molecular Formula
C19H13BrFNO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)F
InChI
InChI=1S/C19H13BrFNO/c20-16-10-11-18(17(21)12-16)22-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)
InChIKey
MHLLOXBXXQVMMY-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-fluorophenyl)-4-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.01645 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.02373 179.4
[M+Na]+ 392.00567 189.3
[M-H]- 368.00917 189.9
[M+NH4]+ 387.05027 194.7
[M+K]+ 407.97961 176.0
[M+H-H2O]+ 352.01371 176.0
[M+HCOO]- 414.01465 199.9
[M+CH3COO]- 428.03030 191.8
[M+Na-2H]- 389.99112 184.0
[M]+ 369.01590 195.5
[M]- 369.01700 195.5
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.