CID 10309791

1,2-decanediol, 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-

Structural Information

Molecular Formula
C10H9F13O2
SMILES
C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(CO)O
InChI
InChI=1S/C10H9F13O2/c11-5(12,2-1-4(25)3-24)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4,24-25H,1-3H2
InChIKey
UAEMJXPBHSWBQB-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

408.0395 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.04678 177.1
[M+Na]+ 431.02872 184.5
[M-H]- 407.03222 160.2
[M+NH4]+ 426.07332 159.3
[M+K]+ 447.00266 180.9
[M+H-H2O]+ 391.03676 164.0
[M+HCOO]- 453.03770 171.1
[M+CH3COO]- 467.05335 218.7
[M+Na-2H]- 429.01417 178.4
[M]+ 408.03895 156.3
[M]- 408.04005 156.3
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