CID 4383856

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-octanedioic acid diamide

Structural Information

Molecular Formula
C8H4F12N2O2
SMILES
C(=O)(C(C(C(C(C(C(C(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C8H4F12N2O2/c9-3(10,1(21)23)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2(22)24/h(H2,21,23)(H2,22,24)
InChIKey
SYUPSOPAIUOEGW-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanediamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

388.00812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.01540 166.0
[M+Na]+ 410.99734 173.5
[M-H]- 387.00084 155.2
[M+NH4]+ 406.04194 151.9
[M+K]+ 426.97128 171.3
[M+H-H2O]+ 371.00538 153.3
[M+HCOO]- 433.00632 159.5
[M+CH3COO]- 447.02197 222.5
[M+Na-2H]- 408.98279 167.8
[M]+ 388.00757 139.2
[M]- 388.00867 139.2
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