CID 13768626

3-chloro-4-(1h-pyrrol-1-yl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

192.04543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.052706 139.2
[M+Na]+ 215.034648 149.3
[M-H]- 191.038154 144.6
[M+NH4]+ 210.079253 159.7
[M+K]+ 231.008588 144.0
[M+H-H2O]+ 175.042690 132.6
[M+HCOO]- 237.043631 160.1
[M+CH3COO]- 251.059281 153.1
[M+Na-2H]- 213.020096 144.2
[M]+ 192.04488142 139.2
[M]- 192.04597858 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

patents stripe