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

13
Patents

478.02255 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.029826 165.8
[M+Na]+ 501.011768 171.1
[M-H]- 477.015274 171.9
[M+NH4]+ 496.056373 173.8
[M+K]+ 516.985708 179.5
[M+H-H2O]+ 461.019810 155.1
[M+HCOO]- 523.020751 183.1
[M+CH3COO]- 537.036401 233.7
[M+Na-2H]- 498.997216 164.9
[M]+ 478.02200142 164.0
[M]- 478.02309858 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