CID 14496000

63967-40-8

Structural Information

Molecular Formula
C9HF17O
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
InChI
InChI=1S/C9HF17O/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/h1H
InChIKey
OLALBODTPKELPY-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

447.9756 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.98288 155.4
[M+Na]+ 470.96482 162.0
[M-H]- 446.96832 161.7
[M+NH4]+ 466.00942 164.4
[M+K]+ 486.93876 168.9
[M+H-H2O]+ 430.97286 170.4
[M+HCOO]- 492.97380 177.4
[M+CH3COO]- 506.98945 229.5
[M+Na-2H]- 468.95027 156.2
[M]+ 447.97505 154.9
[M]- 447.97615 154.9
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