CID 224096

9-bromo-2-trifluoroacetamido-fluorene

Structural Information

Molecular Formula
C15H9BrF3NO
SMILES
C1=CC=C2C3=C(C=C(C=C3)NC(=O)C(F)(F)F)C(C2=C1)Br
InChI
InChI=1S/C15H9BrF3NO/c16-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)13)20-14(21)15(17,18)19/h1-7,13H,(H,20,21)
InChIKey
YIHWFOHEOXDAIC-UHFFFAOYSA-N
Compound name
N-(9-bromo-9H-fluoren-2-yl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

354.98196 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.98924 178.0
[M+Na]+ 377.97118 190.6
[M-H]- 353.97468 182.7
[M+NH4]+ 373.01578 198.3
[M+K]+ 393.94512 177.3
[M+H-H2O]+ 337.97922 175.7
[M+HCOO]- 399.98016 194.1
[M+CH3COO]- 413.99581 210.4
[M+Na-2H]- 375.95663 182.6
[M]+ 354.98141 193.4
[M]- 354.98251 193.4
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