CID 23423629

14117-04-5

Structural Information

Molecular Formula
C3H5F4N
SMILES
C(C(C(F)(F)F)F)N
InChI
InChI=1S/C3H5F4N/c4-2(1-8)3(5,6)7/h2H,1,8H2
InChIKey
JFZSMCOKEWTTBJ-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

131.03581 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.04309 119.4
[M+Na]+ 154.02503 127.4
[M-H]- 130.02853 114.4
[M+NH4]+ 149.06963 140.7
[M+K]+ 169.99897 126.7
[M+H-H2O]+ 114.03307 112.0
[M+HCOO]- 176.03401 137.7
[M+CH3COO]- 190.04966 173.9
[M+Na-2H]- 152.01048 124.2
[M]+ 131.03526 111.3
[M]- 131.03636 111.4
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