CID 18994450

3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol

Structural Information

Molecular Formula
C7H5F11O
SMILES
CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7H5F11O/c1-2(19)3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h2,19H,1H3
InChIKey
QOYNEVFKTZVANM-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

40
Patents

314.01648 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.02376 154.7
[M+Na]+ 337.00570 163.3
[M-H]- 313.00920 141.2
[M+NH4]+ 332.05030 167.7
[M+K]+ 352.97964 160.8
[M+H-H2O]+ 297.01374 143.1
[M+HCOO]- 359.01468 156.6
[M+CH3COO]- 373.03033 204.5
[M+Na-2H]- 334.99115 157.4
[M]+ 314.01593 136.9
[M]- 314.01703 136.9
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

No patent data available for this compound.