CID 9778

1h-perfluoroheptane

Structural Information

Molecular Formula
C7HF15
SMILES
C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7HF15/c8-1(9)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)22/h1H
InChIKey
HBZVXKDQRIQMCW-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1962
Patents

369.9839 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.99118 168.0
[M+Na]+ 392.97312 168.1
[M+NH4]+ 388.01772 167.5
[M+K]+ 408.94706 167.7
[M-H]- 368.97662 165.3
[M+Na-2H]- 390.95857 167.4
[M]+ 369.98335 167.1
[M]- 369.98445 167.1
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