CID 22152050

Dtxsid701348696

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
1
Annotation Hits

0
References

5
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

No literature data available for this compound.

Patent stripe

patents stripe