CID 12626

Heptafluorobutyramide

Structural Information

Molecular Formula
C4H2F7NO
SMILES
C(=O)(C(C(C(F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C4H2F7NO/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H2,12,13)
InChIKey
FOBJABJCODOMEO-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

1091
Patents

213.00246 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.009736 132.3
[M+Na]+ 235.991678 141.1
[M-H]- 211.995184 123.9
[M+NH4]+ 231.036283 149.9
[M+K]+ 251.965618 139.6
[M+H-H2O]+ 195.999720 123.0
[M+HCOO]- 258.000661 144.3
[M+CH3COO]- 272.016311 187.9
[M+Na-2H]- 233.977126 136.6
[M]+ 213.00191142 120.0
[M]- 213.00300858 120.0
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