CID 147624985

2428643-63-2

Structural Information

Molecular Formula
C13H8BrFN2O
SMILES
C1=CC(=NC(=C1)Br)OCC2=C(C=C(C=C2)C#N)F
InChI
InChI=1S/C13H8BrFN2O/c14-12-2-1-3-13(17-12)18-8-10-5-4-9(7-16)6-11(10)15/h1-6H,8H2
InChIKey
GEPGBRNJFZVYFN-UHFFFAOYSA-N
Compound name
4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

305.9804 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.98768 154.6
[M+Na]+ 328.96962 168.7
[M-H]- 304.97312 158.8
[M+NH4]+ 324.01422 170.0
[M+K]+ 344.94356 155.6
[M+H-H2O]+ 288.97766 145.4
[M+HCOO]- 350.97860 173.3
[M+CH3COO]- 364.99425 210.1
[M+Na-2H]- 326.95507 160.7
[M]+ 305.97985 166.7
[M]- 305.98095 166.7
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

patents stripe