CID 155937585

2-[2-(difluoromethyl)pyridin-4-yl]phenol

Structural Information

Molecular Formula
C12H9F2NO
SMILES
C1=CC=C(C(=C1)C2=CC(=NC=C2)C(F)F)O
InChI
InChI=1S/C12H9F2NO/c13-12(14)10-7-8(5-6-15-10)9-3-1-2-4-11(9)16/h1-7,12,16H
InChIKey
YBHAJCRKAZYHOD-UHFFFAOYSA-N
Compound name
2-[2-(difluoromethyl)pyridin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06522 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07250 144.3
[M+Na]+ 244.05444 153.1
[M-H]- 220.05794 146.1
[M+NH4]+ 239.09904 160.5
[M+K]+ 260.02838 148.6
[M+H-H2O]+ 204.06248 135.1
[M+HCOO]- 266.06342 163.6
[M+CH3COO]- 280.07907 186.6
[M+Na-2H]- 242.03989 149.2
[M]+ 221.06467 140.7
[M]- 221.06577 140.7
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

No patent data available for this compound.