CID 550014

107650-06-6

Structural Information

Molecular Formula
C9H7F13O2
SMILES
C(C(CO)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H7F13O2/c10-4(11,1-3(24)2-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3,23-24H,1-2H2
InChIKey
DAHZCNRVTNHGGR-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

394.02383 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.03111 179.3
[M+Na]+ 417.01305 179.1
[M+NH4]+ 412.05765 178.3
[M+K]+ 432.98699 178.1
[M-H]- 393.01655 174.6
[M+Na-2H]- 414.99850 177.3
[M]+ 394.02328 177.8
[M]- 394.02438 177.8
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