CID 86619145

2377995-38-3

Structural Information

Molecular Formula
C7H9F3N2O
SMILES
C1[C@H]2CN[C@@H]1CN2C(=O)C(F)(F)F
InChI
InChI=1S/C7H9F3N2O/c8-7(9,10)6(13)12-3-4-1-5(12)2-11-4/h4-5,11H,1-3H2/t4-,5-/m0/s1
InChIKey
FNUBFNSQYLWHSO-WHFBIAKZSA-N
Compound name
1-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

194.0667 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07398 139.7
[M+Na]+ 217.05592 147.5
[M-H]- 193.05942 134.8
[M+NH4]+ 212.10052 160.8
[M+K]+ 233.02986 145.1
[M+H-H2O]+ 177.06396 132.1
[M+HCOO]- 239.06490 152.3
[M+CH3COO]- 253.08055 178.6
[M+Na-2H]- 215.04137 141.6
[M]+ 194.06615 132.4
[M]- 194.06725 132.4
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