CID 56773837

5-chloro-2-(1h-pyrrol-1-yl)-4-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C11H8ClF3N2
SMILES
C1=CN(C=C1)C2=C(C=C(C(=C2)C(F)(F)F)Cl)N
InChI
InChI=1S/C11H8ClF3N2/c12-8-6-9(16)10(17-3-1-2-4-17)5-7(8)11(13,14)15/h1-6H,16H2
InChIKey
HWKWADYVFZUQOR-UHFFFAOYSA-N
Compound name
5-chloro-2-pyrrol-1-yl-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0328 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04008 153.7
[M+Na]+ 283.02202 164.0
[M+NH4]+ 278.06662 159.9
[M+K]+ 298.99596 159.6
[M-H]- 259.02552 152.6
[M+Na-2H]- 281.00747 159.3
[M]+ 260.03225 154.9
[M]- 260.03335 154.9
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.