CID 23082779

[3-(2,6-difluorophenyl)phenyl]methanol

Structural Information

Molecular Formula
C13H10F2O
SMILES
C1=CC(=CC(=C1)C2=C(C=CC=C2F)F)CO
InChI
InChI=1S/C13H10F2O/c14-11-5-2-6-12(15)13(11)10-4-1-3-9(7-10)8-16/h1-7,16H,8H2
InChIKey
RQRNSDKUIAXBPS-UHFFFAOYSA-N
Compound name
[3-(2,6-difluorophenyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 143.8
[M+Na]+ 243.05920 153.4
[M-H]- 219.06270 147.3
[M+NH4]+ 238.10380 161.9
[M+K]+ 259.03314 148.5
[M+H-H2O]+ 203.06724 135.6
[M+HCOO]- 265.06818 165.1
[M+CH3COO]- 279.08383 187.3
[M+Na-2H]- 241.04465 148.7
[M]+ 220.06943 141.1
[M]- 220.07053 141.1
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