CID 55947

Benzimidazole, 4-bromo-6-tert-butyl-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C12H12BrF3N2
SMILES
CC(C)(C)C1=CC2=C(C(=C1)Br)N=C(N2)C(F)(F)F
InChI
InChI=1S/C12H12BrF3N2/c1-11(2,3)6-4-7(13)9-8(5-6)17-10(18-9)12(14,15)16/h4-5H,1-3H3,(H,17,18)
InChIKey
QEOJVLBOBFWCEI-UHFFFAOYSA-N
Compound name
4-bromo-6-tert-butyl-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0136 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.02088 169.0
[M+Na]+ 343.00282 183.8
[M-H]- 319.00632 170.0
[M+NH4]+ 338.04742 187.8
[M+K]+ 358.97676 170.4
[M+H-H2O]+ 303.01086 167.1
[M+HCOO]- 365.01180 182.2
[M+CH3COO]- 379.02745 200.6
[M+Na-2H]- 340.98827 174.6
[M]+ 320.01305 185.2
[M]- 320.01415 185.2
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.