CID 19177840

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-n-(3-methoxyphenyl)heptanamide

Structural Information

Molecular Formula
C14H8F13NO2
SMILES
COC1=CC=CC(=C1)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H8F13NO2/c1-30-7-4-2-3-6(5-7)28-8(29)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-5H,1H3,(H,28,29)
InChIKey
ALGOLQFPMNZMNC-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(3-methoxyphenyl)heptanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

469.03476 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.04204 192.1
[M+Na]+ 492.02398 200.5
[M-H]- 468.02748 180.8
[M+NH4]+ 487.06858 199.2
[M+K]+ 507.99792 196.3
[M+H-H2O]+ 452.03202 176.8
[M+HCOO]- 514.03296 192.3
[M+CH3COO]- 528.04861 234.0
[M+Na-2H]- 490.00943 194.5
[M]+ 469.03421 173.5
[M]- 469.03531 173.5
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.