CID 6493429

2-chloro-5-(1h-pyrrol-1-yl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04543 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05271 139.2
[M+Na]+ 215.03465 149.3
[M-H]- 191.03815 144.6
[M+NH4]+ 210.07925 159.7
[M+K]+ 231.00859 144.0
[M+H-H2O]+ 175.04269 132.6
[M+HCOO]- 237.04363 160.1
[M+CH3COO]- 251.05928 153.1
[M+Na-2H]- 213.02010 144.2
[M]+ 192.04488 139.2
[M]- 192.04598 139.2
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.