CID 89937289

Brteft

Structural Information

Molecular Formula
C18H9BrF4
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)F)F)F)Br
InChI
InChI=1S/C18H9BrF4/c19-13-4-1-10(2-5-13)11-3-6-14(15(20)7-11)12-8-16(21)18(23)17(22)9-12/h1-9H
InChIKey
ZYOFPBWVYSWUQX-UHFFFAOYSA-N
Compound name
5-[4-(4-bromophenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

379.9824 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.98968 181.8
[M+Na]+ 402.97162 196.0
[M-H]- 378.97512 189.7
[M+NH4]+ 398.01622 197.9
[M+K]+ 418.94556 181.3
[M+H-H2O]+ 362.97966 176.8
[M+HCOO]- 424.98060 199.2
[M+CH3COO]- 438.99625 194.5
[M+Na-2H]- 400.95707 183.3
[M]+ 379.98185 196.2
[M]- 379.98295 196.2
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

patents stripe