CID 18511209

3,3,3-trifluoropropanimidamide hydrochloride

Structural Information

Molecular Formula
C3H5F3N2
SMILES
C(C(=N)N)C(F)(F)F
InChI
InChI=1S/C3H5F3N2/c4-3(5,6)1-2(7)8/h1H2,(H3,7,8)
InChIKey
HCWWJFASZVJTOM-UHFFFAOYSA-N
Compound name
3,3,3-trifluoropropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

126.04048 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.04776 119.4
[M+Na]+ 149.02970 126.8
[M-H]- 125.03320 115.7
[M+NH4]+ 144.07430 140.6
[M+K]+ 165.00364 125.8
[M+H-H2O]+ 109.03774 112.5
[M+HCOO]- 171.03868 140.0
[M+CH3COO]- 185.05433 174.8
[M+Na-2H]- 147.01515 124.9
[M]+ 126.03993 111.1
[M]- 126.04103 111.1
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