CID 12603809

Methyl pentadecafluoroheptyl ketone

Structural Information

Molecular Formula
C9H3F15O
SMILES
CC(=O)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/C9H3F15O/c1-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H3
InChIKey
LFMZSQGESVNRLL-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

155
Patents

411.99445 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.001726 175.4
[M+Na]+ 434.983668 184.8
[M-H]- 410.987174 160.1
[M+NH4]+ 430.028273 163.5
[M+K]+ 450.957608 181.8
[M+H-H2O]+ 394.991710 161.3
[M+HCOO]- 456.992651 174.3
[M+CH3COO]- 471.008301 224.2
[M+Na-2H]- 432.969116 177.7
[M]+ 411.99390142 153.9
[M]- 411.99499858 153.9
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