CID 124252415

2307778-74-9

Structural Information

Molecular Formula
C8H12F3N
SMILES
C1C[C@H]2CNC[C@]2(C1)C(F)(F)F
InChI
InChI=1S/C8H12F3N/c9-8(10,11)7-3-1-2-6(7)4-12-5-7/h6,12H,1-5H2/t6-,7-/m0/s1
InChIKey
UAEDCNSUHWNQRT-BQBZGAKWSA-N
Compound name
(3aR,6aR)-3a-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09218 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.09946 137.4
[M+Na]+ 202.08140 144.5
[M-H]- 178.08490 134.9
[M+NH4]+ 197.12600 161.6
[M+K]+ 218.05534 141.6
[M+H-H2O]+ 162.08944 130.4
[M+HCOO]- 224.09038 151.8
[M+CH3COO]- 238.10603 174.9
[M+Na-2H]- 200.06685 140.7
[M]+ 179.09163 127.8
[M]- 179.09273 127.8
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

No patent data available for this compound.