CID 55963

Benzimidazole, 6-fluoro-4,5,7-tribromo-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8HBr3F4N2
SMILES
C12=C(C(=C(C(=C1Br)F)Br)Br)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8HBr3F4N2/c9-1-2(10)5-6(3(11)4(1)12)17-7(16-5)8(13,14)15/h(H,16,17)
InChIKey
YSHGDPHOIXCXIN-UHFFFAOYSA-N
Compound name
4,5,7-tribromo-6-fluoro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

437.7626 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.76988 159.0
[M+Na]+ 460.75182 169.8
[M-H]- 436.75532 161.2
[M+NH4]+ 455.79642 172.4
[M+K]+ 476.72576 153.6
[M+H-H2O]+ 420.75986 172.5
[M+HCOO]- 482.76080 165.6
[M+CH3COO]- 496.77645 226.1
[M+Na-2H]- 458.73727 162.3
[M]+ 437.76205 197.3
[M]- 437.76315 197.3
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

patents stripe