CID 4860827

620541-13-1

Structural Information

Molecular Formula
C18H11BrF3NO2
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC3=CC=CC=C3Br)C(F)(F)F
InChI
InChI=1S/C18H11BrF3NO2/c19-13-7-3-4-8-14(13)23-17(24)16-10-9-15(25-16)11-5-1-2-6-12(11)18(20,21)22/h1-10H,(H,23,24)
InChIKey
ZSWSKYHNABJIPT-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.99252 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.99980 194.4
[M+Na]+ 431.98174 196.3
[M+NH4]+ 427.02634 196.4
[M+K]+ 447.95568 196.4
[M-H]- 407.98524 194.8
[M+Na-2H]- 429.96719 196.6
[M]+ 408.99197 193.6
[M]- 408.99307 193.6
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.