CID 13291235

5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-3-yn-2-ol

Structural Information

Molecular Formula
C9H7F9O
SMILES
CC(C)(C#CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C9H7F9O/c1-5(2,19)3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h19H,1-2H3
InChIKey
WITWPGGAZCIZSI-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloct-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

302.0353 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04258 152.3
[M+Na]+ 325.02452 161.0
[M-H]- 301.02802 141.0
[M+NH4]+ 320.06912 164.3
[M+K]+ 340.99846 159.2
[M+H-H2O]+ 285.03256 136.9
[M+HCOO]- 347.03350 153.3
[M+CH3COO]- 361.04915 206.7
[M+Na-2H]- 323.00997 155.5
[M]+ 302.03475 134.0
[M]- 302.03585 134.0
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