CID 250985

Heptafluorobutyramidine

Structural Information

Molecular Formula
C4H3F7N2
SMILES
C(=N)(C(C(C(F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C4H3F7N2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H3,12,13)
InChIKey
HYMJOTOLJAHZCH-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutanimidamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

100
Patents

212.01845 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02573 132.9
[M+Na]+ 235.00767 140.9
[M-H]- 211.01117 124.4
[M+NH4]+ 230.05227 150.2
[M+K]+ 250.98161 138.9
[M+H-H2O]+ 195.01571 123.3
[M+HCOO]- 257.01665 145.7
[M+CH3COO]- 271.03230 190.7
[M+Na-2H]- 232.99312 137.2
[M]+ 212.01790 118.3
[M]- 212.01900 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

literature stripe

Patent stripe

patents stripe