CID 114697

M-toluidine, 6-chloro-n-(2-imidazolin-2-yl)-alpha,alpha,alpha-trifluoro-, hydrochloride

Structural Information

Molecular Formula
C10H9ClF3N3
SMILES
C1CN=C(N1)NC2=C(C=CC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C10H9ClF3N3/c11-7-2-1-6(10(12,13)14)5-8(7)17-9-15-3-4-16-9/h1-2,5H,3-4H2,(H2,15,16,17)
InChIKey
WIAICRSVMJHHJL-UHFFFAOYSA-N
Compound name
N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

29
Patents

263.0437 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05098 152.1
[M+Na]+ 286.03292 161.3
[M-H]- 262.03642 151.1
[M+NH4]+ 281.07752 167.8
[M+K]+ 302.00686 154.8
[M+H-H2O]+ 246.04096 142.3
[M+HCOO]- 308.04190 164.6
[M+CH3COO]- 322.05755 191.1
[M+Na-2H]- 284.01837 155.7
[M]+ 263.04315 146.4
[M]- 263.04425 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe