CID 125484046

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene

Structural Information

Molecular Formula
C13H7F7
SMILES
C1=CC=C2C=C(C=CC2=C1)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C13H7F7/c14-11(12(15,16)17,13(18,19)20)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey
YJSZKBRBJZKRTE-UHFFFAOYSA-N
Compound name
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)naphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

296.0436 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.05088 159.4
[M+Na]+ 319.03282 169.4
[M-H]- 295.03632 155.3
[M+NH4]+ 314.07742 175.6
[M+K]+ 335.00676 163.9
[M+H-H2O]+ 279.04086 148.0
[M+HCOO]- 341.04180 170.0
[M+CH3COO]- 355.05745 201.9
[M+Na-2H]- 317.01827 165.6
[M]+ 296.04305 149.5
[M]- 296.04415 149.5
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

patents stripe