CID 22152050

4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-3-oxodecanal

Structural Information

Molecular Formula
C10H3F15O2
SMILES
C(C=O)C(=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/C10H3F15O2/c11-4(12,3(27)1-2-26)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H,1H2
InChIKey
RQIOTBIKFNCZMF-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-3-oxodecanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

439.98935 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.99663 156.9
[M+Na]+ 462.97857 164.3
[M-H]- 438.98207 163.7
[M+NH4]+ 458.02317 167.1
[M+K]+ 478.95251 169.9
[M+H-H2O]+ 422.98661 167.0
[M+HCOO]- 484.98755 177.3
[M+CH3COO]- 499.00320 227.4
[M+Na-2H]- 460.96402 157.0
[M]+ 439.98880 156.3
[M]- 439.98990 156.3
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