CID 12655961

Perfluorononanoyl fluoride

Structural Information

Molecular Formula
C9F18O
SMILES
C(=O)(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
InChI
InChI=1S/C9F18O/c10-1(28)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27
InChIKey
OLVCKTXXONYSKV-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

78
Patents

465.9662 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.97348 159.1
[M+Na]+ 488.95542 165.8
[M-H]- 464.95892 166.5
[M+NH4]+ 484.00002 169.3
[M+K]+ 504.92936 173.5
[M+H-H2O]+ 448.96346 149.8
[M+HCOO]- 510.96440 178.7
[M+CH3COO]- 524.98005 232.5
[M+Na-2H]- 486.94087 160.2
[M]+ 465.96565 157.6
[M]- 465.96675 157.6
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