CID 26820

Benzimidazole, 4,6-diiodo-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8H3F3I2N2
SMILES
C1=C(C=C(C2=C1NC(=N2)C(F)(F)F)I)I
InChI
InChI=1S/C8H3F3I2N2/c9-8(10,11)7-14-5-2-3(12)1-4(13)6(5)15-7/h1-2H,(H,14,15)
InChIKey
FRJLBIMJFWZACZ-UHFFFAOYSA-N
Compound name
4,6-diiodo-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.83377 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.84105 140.3
[M+Na]+ 460.82299 137.7
[M-H]- 436.82649 127.5
[M+NH4]+ 455.86759 148.3
[M+K]+ 476.79693 145.0
[M+H-H2O]+ 420.83103 127.0
[M+HCOO]- 482.83197 147.9
[M+CH3COO]- 496.84762 207.2
[M+Na-2H]- 458.80844 129.8
[M]+ 437.83322 133.6
[M]- 437.83432 133.6
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