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 151.3
[M+Na]+ 283.02202 162.5
[M-H]- 259.02552 153.1
[M+NH4]+ 278.06662 169.3
[M+K]+ 298.99596 156.1
[M+H-H2O]+ 243.03006 142.4
[M+HCOO]- 305.03100 167.1
[M+CH3COO]- 319.04665 194.8
[M+Na-2H]- 281.00747 154.1
[M]+ 260.03225 148.2
[M]- 260.03335 148.2
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.