CID 533991

1h,1h-perfluoro-1-nonanol

Structural Information

Molecular Formula
C9H3F17O
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)O
InChI
InChI=1S/C9H3F17O/c10-2(11,1-27)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h27H,1H2
InChIKey
BSXJTDJJVULBTQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

50
References

1586
Patents

449.99124 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.99852 162.4
[M+Na]+ 472.98046 162.5
[M+NH4]+ 468.02506 162.2
[M+K]+ 488.95440 162.7
[M-H]- 448.98396 161.0
[M+Na-2H]- 470.96591 162.6
[M]+ 449.99069 162.0
[M]- 449.99179 162.0
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