CID 6482086

2-(4-fluorophenyl)-3-nitroso-imidazo[1,2-a]pyrimidine

Structural Information

Molecular Formula
C12H7FN4O
SMILES
C1=CN2C(=C(N=C2N=C1)C3=CC=C(C=C3)F)N=O
InChI
InChI=1S/C12H7FN4O/c13-9-4-2-8(3-5-9)10-11(16-18)17-7-1-6-14-12(17)15-10/h1-7H
InChIKey
IALRXQAJOODQCU-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0604 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06768 148.6
[M+Na]+ 265.04962 161.1
[M-H]- 241.05312 153.7
[M+NH4]+ 260.09422 165.4
[M+K]+ 281.02356 156.4
[M+H-H2O]+ 225.05766 138.2
[M+HCOO]- 287.05860 173.5
[M+CH3COO]- 301.07425 162.4
[M+Na-2H]- 263.03507 157.2
[M]+ 242.05985 151.5
[M]- 242.06095 151.5
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.