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]+ 154.08382 129.6
[M+Na]+ 176.06576 136.6
[M-H]- 152.06926 125.5
[M+NH4]+ 171.11036 150.1
[M+K]+ 192.03970 135.0
[M+H-H2O]+ 136.07380 122.7
[M+HCOO]- 198.07474 148.2
[M+CH3COO]- 212.09039 179.1
[M+Na-2H]- 174.05121 133.4
[M]+ 153.07599 123.3
[M]- 153.07709 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