CID 9814

399-69-9

Structural Information

Molecular Formula
C9H4F6N2
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC(=N2)C(F)(F)F
InChI
InChI=1S/C9H4F6N2/c10-8(11,12)4-1-2-5-6(3-4)17-7(16-5)9(13,14)15/h1-3H,(H,16,17)
InChIKey
BKFXAUQYNCJXIZ-UHFFFAOYSA-N
Compound name
2,6-bis(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

254.02786 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03514 146.2
[M+Na]+ 277.01708 158.8
[M-H]- 253.02058 140.4
[M+NH4]+ 272.06168 163.2
[M+K]+ 292.99102 153.0
[M+H-H2O]+ 237.02512 135.4
[M+HCOO]- 299.02606 159.0
[M+CH3COO]- 313.04171 189.9
[M+Na-2H]- 275.00253 152.0
[M]+ 254.02731 138.8
[M]- 254.02841 138.8
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