CID 2776183

38550-47-9

Structural Information

Molecular Formula
C9H5F13O
SMILES
C(C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C9H5F13O/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2,23H,3H2
InChIKey
ATYZUVRSTXBJLR-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

376.01328 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.02056 170.6
[M+Na]+ 399.00250 179.4
[M-H]- 375.00600 155.2
[M+NH4]+ 394.04710 152.9
[M+K]+ 414.97644 175.2
[M+H-H2O]+ 359.01054 157.4
[M+HCOO]- 421.01148 169.0
[M+CH3COO]- 435.02713 214.3
[M+Na-2H]- 396.98795 173.2
[M]+ 376.01273 149.7
[M]- 376.01383 149.7
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