CID 74485

1766-76-3

Structural Information

Molecular Formula
C13H2F10O
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(C2=C(C(=C(C(=C2F)F)F)F)F)O
InChI
InChI=1S/C13H2F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17/h13,24H
InChIKey
WRLLBTKDSCJOBL-UHFFFAOYSA-N
Compound name
bis(2,3,4,5,6-pentafluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

405
Patents

363.9946 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.00188 167.8
[M+Na]+ 386.98382 183.5
[M-H]- 362.98732 163.1
[M+NH4]+ 382.02842 180.8
[M+K]+ 402.95776 175.9
[M+H-H2O]+ 346.99186 153.4
[M+HCOO]- 408.99280 178.8
[M+CH3COO]- 423.00845 219.7
[M+Na-2H]- 384.96927 161.4
[M]+ 363.99405 157.3
[M]- 363.99515 157.3
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