CID 155820880

2490322-77-3

Structural Information

Molecular Formula
C6H9F4N
SMILES
C1C(CC1(F)F)[C@H](C(F)F)N
InChI
InChI=1S/C6H9F4N/c7-5(8)4(11)3-1-6(9,10)2-3/h3-5H,1-2,11H2/t4-/m1/s1
InChIKey
MVZSVCNMXCQSHI-SCSAIBSYSA-N
Compound name
(1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

171.06711 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.074386 137.3
[M+Na]+ 194.056328 143.3
[M-H]- 170.059834 135.5
[M+NH4]+ 189.100933 152.3
[M+K]+ 210.030268 144.8
[M+H-H2O]+ 154.064370 124.8
[M+HCOO]- 216.065311 153.3
[M+CH3COO]- 230.080961 186.1
[M+Na-2H]- 192.041776 138.1
[M]+ 171.06656142 136.9
[M]- 171.06765858 136.9
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.