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 191.4
[M+Na]+ 431.98174 202.4
[M-H]- 407.98524 200.7
[M+NH4]+ 427.02634 205.8
[M+K]+ 447.95568 190.4
[M+H-H2O]+ 391.98978 187.4
[M+HCOO]- 453.99072 208.8
[M+CH3COO]- 468.00637 217.4
[M+Na-2H]- 429.96719 193.9
[M]+ 408.99197 207.3
[M]- 408.99307 207.3
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.