CID 626724

4,4',4''-trifluorotrityl bromide

Structural Information

Molecular Formula
C19H12BrF3
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)Br)F
InChI
InChI=1S/C19H12BrF3/c20-19(13-1-7-16(21)8-2-13,14-3-9-17(22)10-4-14)15-5-11-18(23)12-6-15/h1-12H
InChIKey
DYMCGODRYMABQY-UHFFFAOYSA-N
Compound name
1-[bromo-bis(4-fluorophenyl)methyl]-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

376.00745 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.01473 183.4
[M+Na]+ 398.99667 195.0
[M-H]- 375.00017 191.7
[M+NH4]+ 394.04127 199.0
[M+K]+ 414.97061 181.0
[M+H-H2O]+ 359.00471 179.4
[M+HCOO]- 421.00565 200.1
[M+CH3COO]- 435.02130 195.5
[M+Na-2H]- 396.98212 187.8
[M]+ 376.00690 197.6
[M]- 376.00800 197.6
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

patents stripe