CID 102725

2,3,4,5,6-pentafluorobenzhydrol

Structural Information

Molecular Formula
C13H7F5O
SMILES
C1=CC=C(C=C1)C(C2=C(C(=C(C(=C2F)F)F)F)F)O
InChI
InChI=1S/C13H7F5O/c14-8-7(9(15)11(17)12(18)10(8)16)13(19)6-4-2-1-3-5-6/h1-5,13,19H
InChIKey
PMIIFKURPQGSMI-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentafluorophenyl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

274.04172 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04900 152.5
[M+Na]+ 297.03094 163.8
[M-H]- 273.03444 152.6
[M+NH4]+ 292.07554 168.6
[M+K]+ 313.00488 158.1
[M+H-H2O]+ 257.03898 141.8
[M+HCOO]- 319.03992 169.5
[M+CH3COO]- 333.05557 199.0
[M+Na-2H]- 295.01639 152.8
[M]+ 274.04117 146.5
[M]- 274.04227 146.5
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