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]+ 235.087736 148.3
[M+Na]+ 257.069678 157.9
[M-H]- 233.073184 153.7
[M+NH4]+ 252.114283 166.4
[M+K]+ 273.043618 150.4
[M+H-H2O]+ 217.077720 145.1
[M+HCOO]- 279.078661 172.9
[M+CH3COO]- 293.094311 187.2
[M+Na-2H]- 255.055126 153.0
[M]+ 234.07991142 147.2
[M]- 234.08100858 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.