CID 161174

Aminopyrrolnitrin

Structural Information

Molecular Formula
C10H8Cl2N2
SMILES
C1=CC(=C(C(=C1)Cl)N)C2=CNC=C2Cl
InChI
InChI=1S/C10H8Cl2N2/c11-8-3-1-2-6(10(8)13)7-4-14-5-9(7)12/h1-5,14H,13H2
InChIKey
RWAXAHFFXZKMPA-UHFFFAOYSA-N
Compound name
2-chloro-6-(4-chloro-1H-pyrrol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

34
Patents

226.00645 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.013726 146.9
[M+Na]+ 248.995668 157.8
[M-H]- 224.999174 150.4
[M+NH4]+ 244.040273 165.9
[M+K]+ 264.969608 150.3
[M+H-H2O]+ 209.003710 141.3
[M+HCOO]- 271.004651 161.0
[M+CH3COO]- 285.020301 159.5
[M+Na-2H]- 246.981116 149.8
[M]+ 226.00590142 146.5
[M]- 226.00699858 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe