CID 63937747

2-chloro-4-[(2-fluorophenyl)methoxy]pyrimidine

Structural Information

Molecular Formula
C11H8ClFN2O
SMILES
C1=CC=C(C(=C1)COC2=NC(=NC=C2)Cl)F
InChI
InChI=1S/C11H8ClFN2O/c12-11-14-6-5-10(15-11)16-7-8-3-1-2-4-9(8)13/h1-6H,7H2
InChIKey
GWBPKDTWVMYHSE-UHFFFAOYSA-N
Compound name
2-chloro-4-[(2-fluorophenyl)methoxy]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.03091 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03819 146.2
[M+Na]+ 261.02013 156.8
[M-H]- 237.02363 149.0
[M+NH4]+ 256.06473 162.0
[M+K]+ 276.99407 151.5
[M+H-H2O]+ 221.02817 137.1
[M+HCOO]- 283.02911 163.4
[M+CH3COO]- 297.04476 158.9
[M+Na-2H]- 259.00558 153.5
[M]+ 238.03036 148.4
[M]- 238.03146 148.4
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.