CID 155822034

2490375-73-8

Structural Information

Molecular Formula
C5H6F5N
SMILES
C1C(CC1(F)F)(C(F)(F)F)N
InChI
InChI=1S/C5H6F5N/c6-4(7)1-3(11,2-4)5(8,9)10/h1-2,11H2
InChIKey
AIEIQBMACXPPFT-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-(trifluoromethyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.04204 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.04932 133.4
[M+Na]+ 198.03126 142.0
[M-H]- 174.03476 131.3
[M+NH4]+ 193.07586 150.6
[M+K]+ 214.00520 142.8
[M+H-H2O]+ 158.03930 122.5
[M+HCOO]- 220.04024 149.3
[M+CH3COO]- 234.05589 183.8
[M+Na-2H]- 196.01671 138.7
[M]+ 175.04149 132.6
[M]- 175.04259 132.6
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.