CID 4480054

Mls002693687

Structural Information

Molecular Formula
C15H6ClF3N2O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=C(C=C23)Cl)NC(=O)C(F)(F)F
InChI
InChI=1S/C15H6ClF3N2O4/c16-11-4-8-7-2-1-6(21(24)25)3-9(7)13(22)10(8)5-12(11)20-14(23)15(17,18)19/h1-5H,(H,20,23)
InChIKey
FUPOJZUMYLOSSF-UHFFFAOYSA-N
Compound name
N-(3-chloro-7-nitro-9-oxofluoren-2-yl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

369.99683 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.00411 174.4
[M+Na]+ 392.98605 184.5
[M-H]- 368.98955 176.8
[M+NH4]+ 388.03065 190.5
[M+K]+ 408.95999 174.7
[M+H-H2O]+ 352.99409 171.8
[M+HCOO]- 414.99503 189.6
[M+CH3COO]- 429.01068 210.2
[M+Na-2H]- 390.97150 180.0
[M]+ 369.99628 174.0
[M]- 369.99738 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.