CID 22018592

2-(chloromethyl)-4-fluoro-1h-1,3-benzodiazole hydrochloride

Structural Information

Molecular Formula
C8H6ClFN2
SMILES
C1=CC2=C(C(=C1)F)N=C(N2)CCl
InChI
InChI=1S/C8H6ClFN2/c9-4-7-11-6-3-1-2-5(10)8(6)12-7/h1-3H,4H2,(H,11,12)
InChIKey
WDXMRBVCBCOJRU-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-fluoro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

184.02036 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02764 131.8
[M+Na]+ 207.00958 144.5
[M-H]- 183.01308 131.7
[M+NH4]+ 202.05418 152.6
[M+K]+ 222.98352 138.5
[M+H-H2O]+ 167.01762 125.0
[M+HCOO]- 229.01856 149.0
[M+CH3COO]- 243.03421 145.7
[M+Na-2H]- 204.99503 139.2
[M]+ 184.01981 133.1
[M]- 184.02091 133.1
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