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

4
Patents

194.0667 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.073976 139.7
[M+Na]+ 217.055918 147.5
[M-H]- 193.059424 134.8
[M+NH4]+ 212.100523 160.8
[M+K]+ 233.029858 145.1
[M+H-H2O]+ 177.063960 132.1
[M+HCOO]- 239.064901 152.3
[M+CH3COO]- 253.080551 178.6
[M+Na-2H]- 215.041366 141.6
[M]+ 194.06615142 132.4
[M]- 194.06724858 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