CID 50989714

3,3-bis(trifluoromethyl)cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H7F6N
SMILES
C1C(CC1(C(F)(F)F)C(F)(F)F)N
InChI
InChI=1S/C6H7F6N/c7-5(8,9)4(6(10,11)12)1-3(13)2-4/h3H,1-2,13H2
InChIKey
QUTPPDWWJFTGSW-UHFFFAOYSA-N
Compound name
3,3-bis(trifluoromethyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.04826 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05554 141.7
[M+Na]+ 230.03748 149.4
[M-H]- 206.04098 137.9
[M+NH4]+ 225.08208 155.7
[M+K]+ 246.01142 149.9
[M+H-H2O]+ 190.04552 128.8
[M+HCOO]- 252.04646 154.6
[M+CH3COO]- 266.06211 189.7
[M+Na-2H]- 228.02293 145.4
[M]+ 207.04771 138.7
[M]- 207.04881 138.7
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.