CID 59365496

918321-20-7

Structural Information

Molecular Formula
C10H10FN3O2
SMILES
CN1C=NC2=C1C=C(C(=C2F)N)C(=O)OC
InChI
InChI=1S/C10H10FN3O2/c1-14-4-13-9-6(14)3-5(10(15)16-2)8(12)7(9)11/h3-4H,12H2,1-2H3
InChIKey
LDEVURKKVDBRLD-UHFFFAOYSA-N
Compound name
methyl 6-amino-7-fluoro-3-methylbenzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

223.0757 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08298 144.9
[M+Na]+ 246.06492 157.2
[M-H]- 222.06842 146.8
[M+NH4]+ 241.10952 163.9
[M+K]+ 262.03886 154.0
[M+H-H2O]+ 206.07296 137.3
[M+HCOO]- 268.07390 167.7
[M+CH3COO]- 282.08955 191.9
[M+Na-2H]- 244.05037 149.0
[M]+ 223.07515 147.5
[M]- 223.07625 147.5
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.