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

28
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

literature stripe

Patent stripe

patents stripe