CID 45480370

2,5-dichloro-6-fluoro-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C7H3Cl2FN2
SMILES
C1=C2C(=CC(=C1F)Cl)N=C(N2)Cl
InChI
InChI=1S/C7H3Cl2FN2/c8-3-1-5-6(2-4(3)10)12-7(9)11-5/h1-2H,(H,11,12)
InChIKey
ZDSRQBIJVZFVST-UHFFFAOYSA-N
Compound name
2,5-dichloro-6-fluoro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

203.96573 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.97301 133.2
[M+Na]+ 226.95495 147.3
[M-H]- 202.95845 132.7
[M+NH4]+ 221.99955 153.7
[M+K]+ 242.92889 140.4
[M+H-H2O]+ 186.96299 127.1
[M+HCOO]- 248.96393 145.3
[M+CH3COO]- 262.97958 146.9
[M+Na-2H]- 224.94040 139.4
[M]+ 203.96518 135.4
[M]- 203.96628 135.4
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