CID 2776407

261503-82-6

Structural Information

Molecular Formula
C11H2F18O2
SMILES
C(C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H2F18O2/c12-4(13,6(16,17)8(20,21)10(24,25)26)2(30)1-3(31)5(14,15)7(18,19)9(22,23)11(27,28)29/h1H2
InChIKey
OYJDIUNBPLCGDV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,8,8,9,9,10,10,11,11,11-octadecafluoroundecane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

507.97675 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.98403 168.8
[M+Na]+ 530.96597 175.7
[M-H]- 506.96947 178.2
[M+NH4]+ 526.01057 181.1
[M+K]+ 546.93991 184.1
[M+H-H2O]+ 490.97401 159.9
[M+HCOO]- 552.97495 186.4
[M+CH3COO]- 566.99060 238.0
[M+Na-2H]- 528.95142 169.5
[M]+ 507.97620 167.0
[M]- 507.97730 167.0
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