CID 12224667

1,1,1,3,3,3-hexafluoropropan-2-amine

Structural Information

Molecular Formula
C3H3F6N
SMILES
C(C(F)(F)F)(C(F)(F)F)N
InChI
InChI=1S/C3H3F6N/c4-2(5,6)1(10)3(7,8)9/h1H,10H2
InChIKey
UHEDJBIYIWUMLU-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoropropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

554
Patents

167.01697 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02425 124.3
[M+Na]+ 190.00619 132.8
[M-H]- 166.00969 117.0
[M+NH4]+ 185.05079 144.0
[M+K]+ 205.98013 131.7
[M+H-H2O]+ 150.01423 115.6
[M+HCOO]- 212.01517 138.8
[M+CH3COO]- 226.03082 179.7
[M+Na-2H]- 187.99164 128.5
[M]+ 167.01642 112.8
[M]- 167.01752 112.8
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