CID 21749565

1365271-95-9

Structural Information

Molecular Formula
C8H7FN2
SMILES
CN1C=NC2=C1C=CC(=C2)F
InChI
InChI=1S/C8H7FN2/c1-11-5-10-7-4-6(9)2-3-8(7)11/h2-5H,1H3
InChIKey
CJIVGQYHPZZEDW-UHFFFAOYSA-N
Compound name
5-fluoro-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

150.05933 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06661 125.0
[M+Na]+ 173.04855 137.4
[M-H]- 149.05205 126.8
[M+NH4]+ 168.09315 147.2
[M+K]+ 189.02249 134.2
[M+H-H2O]+ 133.05659 117.7
[M+HCOO]- 195.05753 148.5
[M+CH3COO]- 209.07318 140.2
[M+Na-2H]- 171.03400 133.4
[M]+ 150.05878 126.4
[M]- 150.05988 126.4
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