CID 18184

3021-63-4

Structural Information

Molecular Formula
C10F22
SMILES
C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10F22/c11-1(7(21,22)23,8(24,25)26)3(13,14)5(17,18)6(19,20)4(15,16)2(12,9(27,28)29)10(30,31)32
InChIKey
OBAVAMUHCSFDSY-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,4,4,5,5,6,6,7,8,8,8-hexadecafluoro-2,7-bis(trifluoromethyl)octane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

176
Patents

537.96484 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.97212 169.9
[M+Na]+ 560.95406 175.2
[M-H]- 536.95756 177.9
[M+NH4]+ 555.99866 179.7
[M+K]+ 576.92800 185.7
[M+H-H2O]+ 520.96210 158.4
[M+HCOO]- 582.96304 190.2
[M+CH3COO]- 596.97869 242.6
[M+Na-2H]- 558.93951 171.6
[M]+ 537.96429 168.2
[M]- 537.96539 168.2
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

No patent data available for this compound.