CID 123049

Bis(4-fluorophenyl)methanol

Structural Information

Molecular Formula
C13H10F2O
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)F)O)F
InChI
InChI=1S/C13H10F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKey
WCTZPQWLFWZYJE-UHFFFAOYSA-N
Compound name
bis(4-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

413
Patents

220.06998 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07726 144.3
[M+Na]+ 243.05920 152.6
[M-H]- 219.06270 147.4
[M+NH4]+ 238.10380 161.9
[M+K]+ 259.03314 148.2
[M+H-H2O]+ 203.06724 135.9
[M+HCOO]- 265.06818 164.6
[M+CH3COO]- 279.08383 187.0
[M+Na-2H]- 241.04465 148.6
[M]+ 220.06943 140.5
[M]- 220.07053 140.5
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