CID 13878520

87017-97-8

Structural Information

Molecular Formula
C11H5F19O
SMILES
C(CO)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H5F19O/c12-3(13,1-2-31)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h31H,1-2H2
InChIKey
HHWOBBVYBVGMFY-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

514.0037 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.01098 166.7
[M+Na]+ 536.99292 171.1
[M-H]- 512.99642 173.2
[M+NH4]+ 532.03752 174.5
[M+K]+ 552.96686 180.7
[M+H-H2O]+ 497.00096 154.7
[M+HCOO]- 559.00190 185.9
[M+CH3COO]- 573.01755 238.6
[M+Na-2H]- 534.97837 166.3
[M]+ 514.00315 164.9
[M]- 514.00425 164.9
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