CID 2776243

2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-nonanediol

Structural Information

Molecular Formula
C9H6F14O2
SMILES
C(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C9H6F14O2/c10-3(11,1-24)5(14,15)7(18,19)9(22,23)8(20,21)6(16,17)4(12,13)2-25/h24-25H,1-2H2
InChIKey
XQULMKMNFZLURS-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononane-1,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

412.01443 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.02171 177.2
[M+Na]+ 435.00365 185.4
[M-H]- 411.00715 154.3
[M+NH4]+ 430.04825 154.7
[M+K]+ 450.97759 181.9
[M+H-H2O]+ 395.01169 163.9
[M+HCOO]- 457.01263 169.4
[M+CH3COO]- 471.02828 219.4
[M+Na-2H]- 432.98910 180.6
[M]+ 412.01388 148.8
[M]- 412.01498 148.8
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