CID 16227819

1169986-27-9

Structural Information

Molecular Formula
C15H12F3N3
SMILES
C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=C(N3)C(F)(F)F)N
InChI
InChI=1S/C15H12F3N3/c16-15(17,18)14-20-11-7-6-10(8-12(11)21-14)13(19)9-4-2-1-3-5-9/h1-8,13H,19H2,(H,20,21)
InChIKey
MWNJYDIIEMBKTE-UHFFFAOYSA-N
Compound name
phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.09833 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10561 162.2
[M+Na]+ 314.08755 171.8
[M-H]- 290.09105 162.4
[M+NH4]+ 309.13215 176.7
[M+K]+ 330.06149 164.7
[M+H-H2O]+ 274.09559 151.7
[M+HCOO]- 336.09653 178.8
[M+CH3COO]- 350.11218 172.5
[M+Na-2H]- 312.07300 166.7
[M]+ 291.09778 156.7
[M]- 291.09888 156.8
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.