CID 61392748

1,1,1-trifluorohex-5-en-3-amine hydrochloride

Structural Information

Molecular Formula
C6H10F3N
SMILES
C=CCC(CC(F)(F)F)N
InChI
InChI=1S/C6H10F3N/c1-2-3-5(10)4-6(7,8)9/h2,5H,1,3-4,10H2
InChIKey
QNIIKOSUBBANRS-UHFFFAOYSA-N
Compound name
1,1,1-trifluorohex-5-en-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

153.07654 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.083816 129.6
[M+Na]+ 176.065758 136.6
[M-H]- 152.069264 125.5
[M+NH4]+ 171.110363 150.1
[M+K]+ 192.039698 135.0
[M+H-H2O]+ 136.073800 122.7
[M+HCOO]- 198.074741 148.2
[M+CH3COO]- 212.090391 179.1
[M+Na-2H]- 174.051206 133.4
[M]+ 153.07599142 123.3
[M]- 153.07708858 123.3
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

patents stripe