CID 2776203

31200-98-3

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

101
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 167.1
[M+Na]+ 536.99292 171.5
[M-H]- 512.99642 173.6
[M+NH4]+ 532.03752 174.9
[M+K]+ 552.96686 181.0
[M+H-H2O]+ 497.00096 155.1
[M+HCOO]- 559.00190 186.3
[M+CH3COO]- 573.01755 238.0
[M+Na-2H]- 534.97837 166.6
[M]+ 514.00315 165.2
[M]- 514.00425 165.2
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