CID 9553

Perfluoroheptane

Structural Information

Molecular Formula
C7F16
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23
InChIKey
LGUZHRODIJCVOC-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

9089
Patents

387.97446 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.98174 171.8
[M+Na]+ 410.96368 181.9
[M-H]- 386.96718 155.9
[M+NH4]+ 406.00828 153.9
[M+K]+ 426.93762 178.5
[M+H-H2O]+ 370.97172 156.9
[M+HCOO]- 432.97266 168.8
[M+CH3COO]- 446.98831 219.9
[M+Na-2H]- 408.94913 174.5
[M]+ 387.97391 146.3
[M]- 387.97501 146.3
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