CID 2776181

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol

Structural Information

Molecular Formula
C9H7F13O
SMILES
C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO
InChI
InChI=1S/C9H7F13O/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h23H,1-3H2
InChIKey
HMGDEQANNRNNKX-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

348
Patents

378.02893 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.03621 172.0
[M+Na]+ 401.01815 180.5
[M-H]- 377.02165 156.6
[M+NH4]+ 396.06275 154.2
[M+K]+ 416.99209 176.9
[M+H-H2O]+ 361.02619 158.8
[M+HCOO]- 423.02713 169.9
[M+CH3COO]- 437.04278 215.9
[M+Na-2H]- 399.00360 174.7
[M]+ 378.02838 151.9
[M]- 378.02948 151.9
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