CID 9889952

22052-87-5

Structural Information

Molecular Formula
C9H3F17O
SMILES
COC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H3F17O/c1-27-9(25,26)7(20,21)5(16,17)3(12,13)2(10,11)4(14,15)6(18,19)8(22,23)24/h1H3
InChIKey
ZHOFTZAKGRZBSL-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-methoxyoctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

430
Patents

449.99124 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.99852 157.0
[M+Na]+ 472.98046 163.1
[M-H]- 448.98396 162.7
[M+NH4]+ 468.02506 165.7
[M+K]+ 488.95440 170.3
[M+H-H2O]+ 432.98850 171.9
[M+HCOO]- 494.98944 178.4
[M+CH3COO]- 509.00509 230.4
[M+Na-2H]- 470.96591 157.4
[M]+ 449.99069 156.6
[M]- 449.99179 156.6
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

patents stripe