CID 4363307

N-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

Structural Information

Molecular Formula
C13H12F13NO
SMILES
C1CCC(CC1)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H12F13NO/c14-8(15,7(28)27-6-4-2-1-3-5-6)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h6H,1-5H2,(H,27,28)
InChIKey
GENXHGFFMLZNRU-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

445.07114 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.07842 188.0
[M+Na]+ 468.06036 193.4
[M-H]- 444.06386 175.4
[M+NH4]+ 463.10496 195.6
[M+K]+ 484.03430 189.5
[M+H-H2O]+ 428.06840 173.3
[M+HCOO]- 490.06934 184.5
[M+CH3COO]- 504.08499 229.4
[M+Na-2H]- 466.04581 188.8
[M]+ 445.07059 163.5
[M]- 445.07169 163.5
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.