CID 106328

67990-33-4

Structural Information

Molecular Formula
C17H16F3N2
SMILES
CC1=[N+](C2=C(N1CC3=CC=CC=C3)C=C(C=C2)C(F)(F)F)C
InChI
InChI=1S/C17H16F3N2/c1-12-21(2)15-9-8-14(17(18,19)20)10-16(15)22(12)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3/q+1
InChIKey
RFNISXIWHJDRAK-UHFFFAOYSA-N
Compound name
3-benzyl-1,2-dimethyl-5-(trifluoromethyl)benzimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.12656 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13384 170.7
[M+Na]+ 328.11578 182.5
[M-H]- 304.11928 173.3
[M+NH4]+ 323.16038 186.3
[M+K]+ 344.08972 170.4
[M+H-H2O]+ 288.12382 162.6
[M+HCOO]- 350.12476 188.2
[M+CH3COO]- 364.14041 199.5
[M+Na-2H]- 326.10123 176.8
[M]+ 305.12601 169.3
[M]- 305.12711 169.3
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.