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

3
Patents

171.06711 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07439 137.3
[M+Na]+ 194.05633 143.3
[M-H]- 170.05983 135.5
[M+NH4]+ 189.10093 152.3
[M+K]+ 210.03027 144.8
[M+H-H2O]+ 154.06437 124.8
[M+HCOO]- 216.06531 153.3
[M+CH3COO]- 230.08096 186.1
[M+Na-2H]- 192.04178 138.1
[M]+ 171.06656 136.9
[M]- 171.06766 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.