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]+ 292.105606 162.2
[M+Na]+ 314.087548 171.8
[M-H]- 290.091054 162.4
[M+NH4]+ 309.132153 176.7
[M+K]+ 330.061488 164.7
[M+H-H2O]+ 274.095590 151.7
[M+HCOO]- 336.096531 178.8
[M+CH3COO]- 350.112181 172.5
[M+Na-2H]- 312.072996 166.7
[M]+ 291.09778142 156.8
[M]- 291.09887858 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.