CID 79002

2,2,3,3,3-pentafluoropropylamine

Structural Information

Molecular Formula
C3H4F5N
SMILES
C(C(C(F)(F)F)(F)F)N
InChI
InChI=1S/C3H4F5N/c4-2(5,1-9)3(6,7)8/h1,9H2
InChIKey
DPQNQLKPUVWGHE-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1897
Patents

149.02638 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.03366 121.6
[M+Na]+ 172.01560 130.3
[M-H]- 148.01910 115.5
[M+NH4]+ 167.06020 142.2
[M+K]+ 187.98954 129.1
[M+H-H2O]+ 132.02364 113.8
[M+HCOO]- 194.02458 138.2
[M+CH3COO]- 208.04023 176.5
[M+Na-2H]- 170.00105 127.7
[M]+ 149.02583 112.2
[M]- 149.02693 112.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe