CID 527536

1h-perfluorononane

Structural Information

Molecular Formula
C9HF19
SMILES
C(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)(F)F
InChI
InChI=1S/C9HF19/c10-1(11)2(12,13)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)28/h1H
InChIKey
CUNIPPSHVAZKID-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorononane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

683
Patents

469.97748 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.98476 161.2
[M+Na]+ 492.96670 167.7
[M-H]- 468.97020 167.3
[M+NH4]+ 488.01130 170.4
[M+K]+ 508.94064 176.0
[M+H-H2O]+ 452.97474 174.3
[M+HCOO]- 514.97568 179.8
[M+CH3COO]- 528.99133 234.4
[M+Na-2H]- 490.95215 162.3
[M]+ 469.97693 159.0
[M]- 469.97803 159.0
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