CID 158138

82489-03-0

Structural Information

Molecular Formula
C12H8F3N3
SMILES
CC1=CC(=NC2=NC3=CC=CC=C3N12)C(F)(F)F
InChI
InChI=1S/C12H8F3N3/c1-7-6-10(12(13,14)15)17-11-16-8-4-2-3-5-9(8)18(7)11/h2-6H,1H3
InChIKey
OKYLOUQMLKXMTR-UHFFFAOYSA-N
Compound name
4-methyl-2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.06703 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.07431 153.0
[M+Na]+ 274.05625 166.4
[M-H]- 250.05975 151.9
[M+NH4]+ 269.10085 170.7
[M+K]+ 290.03019 160.5
[M+H-H2O]+ 234.06429 142.7
[M+HCOO]- 296.06523 169.5
[M+CH3COO]- 310.08088 165.2
[M+Na-2H]- 272.04170 160.4
[M]+ 251.06648 152.6
[M]- 251.06758 152.6
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.