CID 237870

4,6-difluorobenzimidazole

Structural Information

Molecular Formula
C7H4F2N2
SMILES
C1=C(C=C(C2=C1NC=N2)F)F
InChI
InChI=1S/C7H4F2N2/c8-4-1-5(9)7-6(2-4)10-3-11-7/h1-3H,(H,10,11)
InChIKey
WJXRBDCSUGXMOZ-UHFFFAOYSA-N
Compound name
4,6-difluoro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

207
Patents

154.03426 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04154 123.3
[M+Na]+ 177.02348 135.7
[M-H]- 153.02698 122.3
[M+NH4]+ 172.06808 144.4
[M+K]+ 192.99742 131.3
[M+H-H2O]+ 137.03152 115.4
[M+HCOO]- 199.03246 144.5
[M+CH3COO]- 213.04811 137.5
[M+Na-2H]- 175.00893 131.2
[M]+ 154.03371 121.3
[M]- 154.03481 121.3
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