CID 314191

2,2,3,3,4,4,5,5-octafluorohexanediamide

Structural Information

Molecular Formula
C6H4F8N2O2
SMILES
C(=O)(C(C(C(C(C(=O)N)(F)F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C6H4F8N2O2/c7-3(8,1(15)17)5(11,12)6(13,14)4(9,10)2(16)18/h(H2,15,17)(H2,16,18)
InChIKey
SVURUIRNGAQISR-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5-octafluorohexanediamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

28
Patents

288.0145 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.02178 147.1
[M+Na]+ 311.00372 154.5
[M-H]- 287.00722 136.9
[M+NH4]+ 306.04832 160.6
[M+K]+ 326.97766 152.9
[M+H-H2O]+ 271.01176 136.7
[M+HCOO]- 333.01270 155.7
[M+CH3COO]- 347.02835 204.1
[M+Na-2H]- 308.98917 149.4
[M]+ 288.01395 131.7
[M]- 288.01505 131.7
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