CID 2781129

1-(2-fluoro-5-nitrophenyl)-2,5-dimethyl-1h-pyrrole

Structural Information

Molecular Formula
C12H11FN2O2
SMILES
CC1=CC=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])F)C
InChI
InChI=1S/C12H11FN2O2/c1-8-3-4-9(2)14(8)12-7-10(15(16)17)5-6-11(12)13/h3-7H,1-2H3
InChIKey
FVOXWOJMSLDMME-UHFFFAOYSA-N
Compound name
1-(2-fluoro-5-nitrophenyl)-2,5-dimethylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.08046 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08774 148.3
[M+Na]+ 257.06968 157.9
[M-H]- 233.07318 153.7
[M+NH4]+ 252.11428 166.4
[M+K]+ 273.04362 150.4
[M+H-H2O]+ 217.07772 145.1
[M+HCOO]- 279.07866 172.9
[M+CH3COO]- 293.09431 187.2
[M+Na-2H]- 255.05513 153.0
[M]+ 234.07991 147.2
[M]- 234.08101 147.2
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.