CID 10697027

1-(heptadecafluorooctyl)-4-methylbenzene

Structural Information

Molecular Formula
C15H7F17
SMILES
CC1=CC=C(C=C1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H7F17/c1-6-2-4-7(5-3-6)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h2-5H,1H3
InChIKey
MTNQRVPPULDKMX-UHFFFAOYSA-N
Compound name
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

510.02762 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.03490 161.8
[M+Na]+ 533.01684 161.9
[M+NH4]+ 528.06144 161.6
[M+K]+ 548.99078 162.2
[M-H]- 509.02034 160.4
[M+Na-2H]- 531.00229 162.2
[M]+ 510.02707 161.4
[M]- 510.02817 161.4
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