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
2
Annotation Hits

0
References

272
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 172.5
[M+Na]+ 417.01305 180.3
[M-H]- 393.01655 155.8
[M+NH4]+ 412.05765 155.5
[M+K]+ 432.98699 177.0
[M+H-H2O]+ 377.02109 159.7
[M+HCOO]- 439.02203 167.6
[M+CH3COO]- 453.03768 216.0
[M+Na-2H]- 414.99850 174.3
[M]+ 394.02328 151.4
[M]- 394.02438 151.4
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