CID 9390

Perfluorodibutyl ether

Structural Information

Molecular Formula
C8F18O
SMILES
C(C(C(F)(F)F)(F)F)(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8F18O/c9-1(10,5(17,18)19)3(13,14)7(23,24)27-8(25,26)4(15,16)2(11,12)6(20,21)22
InChIKey
LOJJTTDNNWYSGX-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

985
Patents

453.9662 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.97348 154.3
[M+Na]+ 476.95542 160.4
[M-H]- 452.95892 160.2
[M+NH4]+ 472.00002 163.0
[M+K]+ 492.92936 167.6
[M+H-H2O]+ 436.96346 171.6
[M+HCOO]- 498.96440 175.8
[M+CH3COO]- 512.98005 230.0
[M+Na-2H]- 474.94087 189.9
[M]+ 453.96565 153.1
[M]- 453.96675 153.1
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