CID 43660197

2377031-05-3

Structural Information

Molecular Formula
C10H10ClFN2
SMILES
CCN1C2=C(C=C(C=C2)F)N=C1CCl
InChI
InChI=1S/C10H10ClFN2/c1-2-14-9-4-3-7(12)5-8(9)13-10(14)6-11/h3-5H,2,6H2,1H3
InChIKey
WAPTVXCJFIFRPY-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1-ethyl-5-fluorobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.05165 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05893 141.1
[M+Na]+ 235.04087 154.1
[M-H]- 211.04437 142.3
[M+NH4]+ 230.08547 161.7
[M+K]+ 251.01481 148.6
[M+H-H2O]+ 195.04891 133.8
[M+HCOO]- 257.04985 159.0
[M+CH3COO]- 271.06550 155.0
[M+Na-2H]- 233.02632 146.9
[M]+ 212.05110 145.3
[M]- 212.05220 145.3
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.