CID 3847323

(1r-trans)-n,n'-1,2-cyclohexanediylbis(perfluorobutanamide)

Structural Information

Molecular Formula
C14H12F14N2O2
SMILES
C1CCC(C(C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H12F14N2O2/c15-9(16,11(19,20)13(23,24)25)7(31)29-5-3-1-2-4-6(5)30-8(32)10(17,18)12(21,22)14(26,27)28/h5-6H,1-4H2,(H,29,31)(H,30,32)
InChIKey
BVPQBJMNLKHJNO-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

506.06754 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.07482 198.1
[M+Na]+ 529.05676 203.3
[M-H]- 505.06026 184.7
[M+NH4]+ 524.10136 182.9
[M+K]+ 545.03070 199.7
[M+H-H2O]+ 489.06480 182.8
[M+HCOO]- 551.06574 193.0
[M+CH3COO]- 565.08139 240.8
[M+Na-2H]- 527.04221 197.5
[M]+ 506.06699 172.3
[M]- 506.06809 172.3
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

No patent data available for this compound.