CID 60789590

1183473-03-1

Structural Information

Molecular Formula
C8H8FN3
SMILES
CN1C2=C(C(=CC=C2)F)N=C1N
InChI
InChI=1S/C8H8FN3/c1-12-6-4-2-3-5(9)7(6)11-8(12)10/h2-4H,1H3,(H2,10,11)
InChIKey
HZIBSZDHRLAIOV-UHFFFAOYSA-N
Compound name
4-fluoro-1-methylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

165.07022 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.077496 129.7
[M+Na]+ 188.059438 142.1
[M-H]- 164.062944 131.3
[M+NH4]+ 183.104043 150.9
[M+K]+ 204.033378 138.4
[M+H-H2O]+ 148.067480 122.3
[M+HCOO]- 210.068421 153.5
[M+CH3COO]- 224.084071 144.3
[M+Na-2H]- 186.044886 136.8
[M]+ 165.06967142 129.8
[M]- 165.07076858 129.8
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