CID 98454527

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane

Structural Information

Molecular Formula
C8H3F15O
SMILES
C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(F)(F)F
InChI
InChI=1S/C8H3F15O/c9-2(10)4(13,14)6(17,18)7(19,20)5(15,16)3(11,12)1-24-8(21,22)23/h2H,1H2
InChIKey
CHGCVCJWHFBIQY-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

399.99445 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.00173 173.8
[M+Na]+ 422.98367 183.0
[M-H]- 398.98717 158.0
[M+NH4]+ 418.02827 158.4
[M+K]+ 438.95761 180.0
[M+H-H2O]+ 382.99171 159.0
[M+HCOO]- 444.99265 169.8
[M+CH3COO]- 459.00830 221.9
[M+Na-2H]- 420.96912 175.0
[M]+ 399.99390 151.6
[M]- 399.99500 151.6
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.