CID 75360833

1184-97-0

Structural Information

Molecular Formula
C7H3F13O
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)OC(C(C(F)(F)F)F)(F)F
InChI
InChI=1S/C7H3F13O/c8-2(4(11,12)13)5(14,15)21-1-3(9,10)6(16,17)7(18,19)20/h2H,1H2
InChIKey
ITRARIZTIUSJFX-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

349.99762 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.00490 162.4
[M+Na]+ 372.98684 171.6
[M-H]- 348.99034 148.1
[M+NH4]+ 368.03144 174.4
[M+K]+ 388.96078 169.1
[M+H-H2O]+ 332.99488 148.8
[M+HCOO]- 394.99582 163.6
[M+CH3COO]- 409.01147 212.3
[M+Na-2H]- 370.97229 164.2
[M]+ 349.99707 143.4
[M]- 349.99817 143.4
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