CID 13794506

Caroxin d

Structural Information

Molecular Formula
C10F22O2
SMILES
C(C(F)(F)F)(C(F)(F)F)(OC(C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C10F22O2/c11-1(12,9(29,30)33-3(15,5(17,18)19)6(20,21)22)2(13,14)10(31,32)34-4(16,7(23,24)25)8(26,27)28
InChIKey
DZRJDVMVCAOKEZ-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoro-1,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

45
Patents

569.9547 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.96198 170.2
[M+Na]+ 592.94392 174.7
[M-H]- 568.94742 179.2
[M+NH4]+ 587.98852 181.2
[M+K]+ 608.91786 185.3
[M+H-H2O]+ 552.95196 158.9
[M+HCOO]- 614.95290 190.5
[M+CH3COO]- 628.96855 245.3
[M+Na-2H]- 590.92937 171.6
[M]+ 569.95415 168.6
[M]- 569.95525 168.6
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