CID 10905574

134052-02-1

Structural Information

Molecular Formula
C11H11F13O
SMILES
C(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C11H11F13O/c12-6(13,4-2-1-3-5-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h25H,1-5H2
InChIKey
SMQWZVBJTNTJHH-UHFFFAOYSA-N
Compound name
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

406.06024 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.06752 181.1
[M+Na]+ 429.04946 188.8
[M-H]- 405.05296 165.3
[M+NH4]+ 424.09406 161.8
[M+K]+ 445.02340 184.7
[M+H-H2O]+ 389.05750 167.5
[M+HCOO]- 451.05844 176.9
[M+CH3COO]- 465.07409 221.3
[M+Na-2H]- 427.03491 182.8
[M]+ 406.05969 161.7
[M]- 406.06079 161.7
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