CID 194654

4-(2-amino-3-chlorophenyl)pyrrole

Structural Information

Molecular Formula
C10H9ClN2
SMILES
C1=CC(=C(C(=C1)Cl)N)C2=CNC=C2
InChI
InChI=1S/C10H9ClN2/c11-9-3-1-2-8(10(9)12)7-4-5-13-6-7/h1-6,13H,12H2
InChIKey
VLWKKIHFPGKVHZ-UHFFFAOYSA-N
Compound name
2-chloro-6-(1H-pyrrol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

47
Patents

192.04543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05271 139.4
[M+Na]+ 215.03465 149.1
[M-H]- 191.03815 143.5
[M+NH4]+ 210.07925 159.2
[M+K]+ 231.00859 143.0
[M+H-H2O]+ 175.04269 133.2
[M+HCOO]- 237.04363 158.9
[M+CH3COO]- 251.05928 152.7
[M+Na-2H]- 213.02010 144.0
[M]+ 192.04488 137.6
[M]- 192.04598 137.6
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