CID 10861469

64739-16-8

Structural Information

Molecular Formula
C7H3F13O2
SMILES
C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(O)O
InChI
InChI=1S/C7H3F13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1,21-22H
InChIKey
OUDRUNXDQLDNNJ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptane-1,1-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

365.99255 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.99983 163.5
[M+Na]+ 388.98177 172.0
[M-H]- 364.98527 147.1
[M+NH4]+ 384.02637 147.9
[M+K]+ 404.95571 169.1
[M+H-H2O]+ 348.98981 150.9
[M+HCOO]- 410.99075 160.7
[M+CH3COO]- 425.00640 210.6
[M+Na-2H]- 386.96722 166.1
[M]+ 365.99200 141.6
[M]- 365.99310 141.6
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