CID 57740570

5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldecan-2-ol

Structural Information

Molecular Formula
C11H11F13O
SMILES
CC(C)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C11H11F13O/c1-5(2,25)3-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h25H,3-4H2,1-2H3
InChIKey
JFTPFVPCFXEYSQ-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

406.06024 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.06752 179.7
[M+Na]+ 429.04946 187.7
[M-H]- 405.05296 161.6
[M+NH4]+ 424.09406 164.0
[M+K]+ 445.02340 184.4
[M+H-H2O]+ 389.05750 166.8
[M+HCOO]- 451.05844 178.4
[M+CH3COO]- 465.07409 222.0
[M+Na-2H]- 427.03491 182.9
[M]+ 406.05969 159.6
[M]- 406.06079 159.6
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