CID 59474590

1008361-62-3

Structural Information

Molecular Formula
C8H4BrF3N2
SMILES
C1=C(C(=CC2=C1NC=N2)Br)C(F)(F)F
InChI
InChI=1S/C8H4BrF3N2/c9-5-2-7-6(13-3-14-7)1-4(5)8(10,11)12/h1-3H,(H,13,14)
InChIKey
SSVCVDCKGHSFTM-UHFFFAOYSA-N
Compound name
5-bromo-6-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

263.951 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.958276 148.3
[M+Na]+ 286.940218 163.6
[M-H]- 262.943724 149.2
[M+NH4]+ 281.984823 168.7
[M+K]+ 302.914158 150.6
[M+H-H2O]+ 246.948260 146.3
[M+HCOO]- 308.949201 164.4
[M+CH3COO]- 322.964851 188.5
[M+Na-2H]- 284.925666 156.0
[M]+ 263.95045142 163.6
[M]- 263.95154858 163.6
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

patents stripe