CID 23441219

2-chloro-4-fluoro-1h-benzo[d]imidazole

Structural Information

Molecular Formula
C7H4ClFN2
SMILES
C1=CC2=C(C(=C1)F)N=C(N2)Cl
InChI
InChI=1S/C7H4ClFN2/c8-7-10-5-3-1-2-4(9)6(5)11-7/h1-3H,(H,10,11)
InChIKey
ZFSLVIPTTSYCLG-UHFFFAOYSA-N
Compound name
2-chloro-4-fluoro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

170.0047 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.01198 127.1
[M+Na]+ 192.99392 140.2
[M-H]- 168.99742 127.2
[M+NH4]+ 188.03852 148.4
[M+K]+ 208.96786 134.5
[M+H-H2O]+ 153.00196 120.5
[M+HCOO]- 215.00290 144.6
[M+CH3COO]- 229.01855 141.4
[M+Na-2H]- 190.97937 135.0
[M]+ 170.00415 128.0
[M]- 170.00525 128.0
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