CID 52046

Acetamide, n-(chlorofluoren-2-yl)-2,2,2-trifluoro-

Structural Information

Molecular Formula
C15H9ClF3NO
SMILES
C1C2=CC=CC=C2C3=C1C(=C(C=C3)NC(=O)C(F)(F)F)Cl
InChI
InChI=1S/C15H9ClF3NO/c16-13-11-7-8-3-1-2-4-9(8)10(11)5-6-12(13)20-14(21)15(17,18)19/h1-6H,7H2,(H,20,21)
InChIKey
HSVHKZXZKGDIIW-UHFFFAOYSA-N
Compound name
N-(1-chloro-9H-fluoren-2-yl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.03247 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.03975 165.3
[M+Na]+ 334.02169 176.3
[M-H]- 310.02519 167.4
[M+NH4]+ 329.06629 185.0
[M+K]+ 349.99563 169.2
[M+H-H2O]+ 294.02973 157.8
[M+HCOO]- 356.03067 179.4
[M+CH3COO]- 370.04632 205.6
[M+Na-2H]- 332.00714 169.5
[M]+ 311.03192 164.7
[M]- 311.03302 164.7
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.