CID 11077298

Benzene, (nonafluorobutyl)-

Structural Information

Molecular Formula
C10H5F9
SMILES
C1=CC=C(C=C1)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F9/c11-7(12,6-4-2-1-3-5-6)8(13,14)9(15,16)10(17,18)19/h1-5H
InChIKey
PACASBRIKDMTSP-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluorobutylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

157
Patents

296.02475 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.03203 154.5
[M+Na]+ 319.01397 163.7
[M-H]- 295.01747 147.2
[M+NH4]+ 314.05857 169.1
[M+K]+ 334.98791 159.5
[M+H-H2O]+ 279.02201 142.3
[M+HCOO]- 341.02295 162.5
[M+CH3COO]- 355.03860 201.8
[M+Na-2H]- 316.99942 159.5
[M]+ 296.02420 140.7
[M]- 296.02530 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe