CID 28595921

2-[(2,2,2-trifluoroethyl)amino]acetonitrile hydrochloride

Structural Information

Molecular Formula
C4H5F3N2
SMILES
C(C#N)NCC(F)(F)F
InChI
InChI=1S/C4H5F3N2/c5-4(6,7)3-9-2-1-8/h9H,2-3H2
InChIKey
COWDLHURJMOZKJ-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethylamino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

138.04048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.04776 119.3
[M+Na]+ 161.02970 128.3
[M-H]- 137.03320 116.7
[M+NH4]+ 156.07430 138.5
[M+K]+ 177.00364 128.1
[M+H-H2O]+ 121.03774 106.2
[M+HCOO]- 183.03868 137.0
[M+CH3COO]- 197.05433 188.1
[M+Na-2H]- 159.01515 126.4
[M]+ 138.03993 110.2
[M]- 138.04103 110.2
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