CID 15754740

3,3,4,4,4-pentafluorobutan-1-amine

Structural Information

Molecular Formula
C4H6F5N
SMILES
C(CN)C(C(F)(F)F)(F)F
InChI
InChI=1S/C4H6F5N/c5-3(6,1-2-10)4(7,8)9/h1-2,10H2
InChIKey
QPURPAZMWFFRHE-UHFFFAOYSA-N
Compound name
3,3,4,4,4-pentafluorobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

163.04204 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04932 126.3
[M+Na]+ 186.03126 134.6
[M-H]- 162.03476 120.1
[M+NH4]+ 181.07586 146.4
[M+K]+ 202.00520 133.2
[M+H-H2O]+ 146.03930 118.4
[M+HCOO]- 208.04024 142.6
[M+CH3COO]- 222.05589 179.5
[M+Na-2H]- 184.01671 131.9
[M]+ 163.04149 117.4
[M]- 163.04259 117.4
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