CID 50741601

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-methyldecan-1-ol

Structural Information

Molecular Formula
C11H7F17O
SMILES
CC(CO)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
InChI
InChI=1S/C11H7F17O/c1-3(2-29)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3,29H,2H2,1H3
InChIKey
VPNWMJAVJKPMOO-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-methyldecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

478.02255 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.02983 165.8
[M+Na]+ 501.01177 171.1
[M-H]- 477.01527 171.9
[M+NH4]+ 496.05637 173.8
[M+K]+ 516.98571 179.5
[M+H-H2O]+ 461.01981 155.1
[M+HCOO]- 523.02075 183.1
[M+CH3COO]- 537.03640 233.7
[M+Na-2H]- 498.99722 164.9
[M]+ 478.02200 164.0
[M]- 478.02310 164.0
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