CID 10095866

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanal

Structural Information

Molecular Formula
C10H3F17O
SMILES
C(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/C10H3F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2
InChIKey
KDGIOTBLYAPNRR-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

41
Patents

461.99124 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.998516 159.2
[M+Na]+ 484.980458 165.6
[M-H]- 460.983964 165.2
[M+NH4]+ 480.025063 168.2
[M+K]+ 500.954398 172.9
[M+H-H2O]+ 444.988500 149.3
[M+HCOO]- 506.989441 180.8
[M+CH3COO]- 521.005091 232.0
[M+Na-2H]- 482.965906 159.5
[M]+ 461.99069142 158.6
[M]- 461.99178858 158.6
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