CID 13953928

117391-20-5

Structural Information

Molecular Formula
C11H8F3NO2
SMILES
C1C(C2=CC=CC=C2C1=O)NC(=O)C(F)(F)F
InChI
InChI=1S/C11H8F3NO2/c12-11(13,14)10(17)15-8-5-9(16)7-4-2-1-3-6(7)8/h1-4,8H,5H2,(H,15,17)
InChIKey
JKTZEXJQDLSNPN-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(3-oxo-1,2-dihydroinden-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

243.05072 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.05800 147.3
[M+Na]+ 266.03994 156.0
[M-H]- 242.04344 148.2
[M+NH4]+ 261.08454 167.4
[M+K]+ 282.01388 152.6
[M+H-H2O]+ 226.04798 139.7
[M+HCOO]- 288.04892 166.4
[M+CH3COO]- 302.06457 192.6
[M+Na-2H]- 264.02539 151.2
[M]+ 243.05017 142.8
[M]- 243.05127 142.8
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