CID 144723

374-80-1

Structural Information

Molecular Formula
C9F16
SMILES
C12(C(C(C(C1(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C9F16/c10-1-2(11,4(14,15)7(20,21)3(1,12)13)6(18,19)9(24,25)8(22,23)5(1,16)17
InChIKey
NLQOEOVORMKOIY-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluoroindene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

84
Patents

411.97446 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.98174 143.3
[M+Na]+ 434.96368 163.6
[M-H]- 410.96718 135.1
[M+NH4]+ 430.00828 171.3
[M+K]+ 450.93762 157.9
[M+H-H2O]+ 394.97172 134.4
[M+HCOO]- 456.97266 147.3
[M+CH3COO]- 470.98831 224.1
[M+Na-2H]- 432.94913 147.8
[M]+ 411.97391 127.4
[M]- 411.97501 127.4
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