CID 73994876

6-fluoro-1h,2h,3h,5h-pyrrolo[1,2-a]quinazoline

Structural Information

Molecular Formula
C11H11FN2
SMILES
C1CC2=NCC3=C(N2C1)C=CC=C3F
InChI
InChI=1S/C11H11FN2/c12-9-3-1-4-10-8(9)7-13-11-5-2-6-14(10)11/h1,3-4H,2,5-7H2
InChIKey
HYLRITBJJQAEOP-UHFFFAOYSA-N
Compound name
6-fluoro-1,2,3,5-tetrahydropyrrolo[1,2-a]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09062 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09790 138.7
[M+Na]+ 213.07984 148.0
[M-H]- 189.08334 140.0
[M+NH4]+ 208.12444 159.7
[M+K]+ 229.05378 143.7
[M+H-H2O]+ 173.08788 130.4
[M+HCOO]- 235.08882 156.6
[M+CH3COO]- 249.10447 151.4
[M+Na-2H]- 211.06529 145.1
[M]+ 190.09007 135.5
[M]- 190.09117 135.5
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.