CID 3050878

Brn 0405534

Structural Information

Molecular Formula
C11H11F3N2
SMILES
C1C(CN=C1N)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C11H11F3N2/c12-11(13,14)9-3-1-2-7(4-9)8-5-10(15)16-6-8/h1-4,8H,5-6H2,(H2,15,16)
InChIKey
DWXFSUJYIBKIPH-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.08743 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09471 145.9
[M+Na]+ 251.07665 154.4
[M-H]- 227.08015 147.3
[M+NH4]+ 246.12125 164.0
[M+K]+ 267.05059 150.1
[M+H-H2O]+ 211.08469 136.4
[M+HCOO]- 273.08563 165.0
[M+CH3COO]- 287.10128 190.2
[M+Na-2H]- 249.06210 149.0
[M]+ 228.08688 138.9
[M]- 228.08798 138.9
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.