CID 130053146

1388041-35-7

Structural Information

Molecular Formula
C9H8ClFN2
SMILES
CC1=C(C2=C(C=C1)NC(=N2)CCl)F
InChI
InChI=1S/C9H8ClFN2/c1-5-2-3-6-9(8(5)11)13-7(4-10)12-6/h2-3H,4H2,1H3,(H,12,13)
InChIKey
IMHWBBVYADKSEF-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-fluoro-5-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.03601 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04329 136.7
[M+Na]+ 221.02523 149.8
[M-H]- 197.02873 136.8
[M+NH4]+ 216.06983 157.2
[M+K]+ 236.99917 143.6
[M+H-H2O]+ 181.03327 130.0
[M+HCOO]- 243.03421 153.5
[M+CH3COO]- 257.04986 150.5
[M+Na-2H]- 219.01068 142.7
[M]+ 198.03546 138.7
[M]- 198.03656 138.7
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

No patent data available for this compound.