CID 20266244

2126160-16-3

Structural Information

Molecular Formula
C4H6F5N
SMILES
C(C(F)F)NCC(F)(F)F
InChI
InChI=1S/C4H6F5N/c5-3(6)1-10-2-4(7,8)9/h3,10H,1-2H2
InChIKey
NMIOGJNLOZMWJZ-UHFFFAOYSA-N
Compound name
N-(2,2-difluoroethyl)-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

163.04204 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04932 126.3
[M+Na]+ 186.03126 133.8
[M-H]- 162.03476 120.2
[M+NH4]+ 181.07586 146.4
[M+K]+ 202.00520 132.8
[M+H-H2O]+ 146.03930 117.7
[M+HCOO]- 208.04024 143.8
[M+CH3COO]- 222.05589 180.6
[M+Na-2H]- 184.01671 131.0
[M]+ 163.04149 118.3
[M]- 163.04259 118.3
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