CID 4715273

1-(4-methoxy-2-nitrophenyl)-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C12H10N2O4
SMILES
COC1=CC(=C(C=C1)N2C=CC=C2C=O)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O4/c1-18-10-4-5-11(12(7-10)14(16)17)13-6-2-3-9(13)8-15/h2-8H,1H3
InChIKey
JGTHUFBUGDDCNF-UHFFFAOYSA-N
Compound name
1-(4-methoxy-2-nitrophenyl)pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.06406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07134 151.8
[M+Na]+ 269.05328 160.3
[M-H]- 245.05678 158.2
[M+NH4]+ 264.09788 168.8
[M+K]+ 285.02722 153.8
[M+H-H2O]+ 229.06132 148.9
[M+HCOO]- 291.06226 177.9
[M+CH3COO]- 305.07791 186.5
[M+Na-2H]- 267.03873 157.9
[M]+ 246.06351 153.3
[M]- 246.06461 153.3
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.