CID 39872416

1428198-37-1

Structural Information

Molecular Formula
C6H8F3N
SMILES
C1[C@@H]2[C@@H](C2C(F)(F)F)CN1
InChI
InChI=1S/C6H8F3N/c7-6(8,9)5-3-1-10-2-4(3)5/h3-5,10H,1-2H2/t3-,4+,5?
InChIKey
AFJGFMLXPMHAHR-NGQZWQHPSA-N
Compound name
(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

151.06088 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.068156 124.9
[M+Na]+ 174.050098 135.4
[M-H]- 150.053604 123.9
[M+NH4]+ 169.094703 142.1
[M+K]+ 190.024038 131.2
[M+H-H2O]+ 134.058140 117.2
[M+HCOO]- 196.059081 140.7
[M+CH3COO]- 210.074731 176.0
[M+Na-2H]- 172.035546 130.2
[M]+ 151.06033142 120.5
[M]- 151.06142858 120.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe