CID 129669940

(perfluoropropyl)(perfluorophenyl)methanol

Structural Information

Molecular Formula
C10H2F12O
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(C(C(C(F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C10H2F12O/c11-2-1(3(12)5(14)6(15)4(2)13)7(23)8(16,17)9(18,19)10(20,21)22/h7,23H
InChIKey
DHXDVGJLVFXSEY-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

365.9914 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.99868 166.2
[M+Na]+ 388.98062 178.7
[M-H]- 364.98412 155.4
[M+NH4]+ 384.02522 178.1
[M+K]+ 404.95456 173.2
[M+H-H2O]+ 348.98866 152.3
[M+HCOO]- 410.98960 170.3
[M+CH3COO]- 425.00525 215.9
[M+Na-2H]- 386.96607 163.9
[M]+ 365.99085 149.5
[M]- 365.99195 149.5
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