CID 366240

6-fluoro-2-methyl-1h-benzimidazol-5-amine

Structural Information

Molecular Formula
C8H8FN3
SMILES
CC1=NC2=C(N1)C=C(C(=C2)N)F
InChI
InChI=1S/C8H8FN3/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,10H2,1H3,(H,11,12)
InChIKey
GHVXBOIOCHKSHV-UHFFFAOYSA-N
Compound name
6-fluoro-2-methyl-1H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

165.07022 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.07750 130.2
[M+Na]+ 188.05944 142.2
[M-H]- 164.06294 130.4
[M+NH4]+ 183.10404 150.7
[M+K]+ 204.03338 137.6
[M+H-H2O]+ 148.06748 123.1
[M+HCOO]- 210.06842 152.5
[M+CH3COO]- 224.08407 144.1
[M+Na-2H]- 186.04489 136.8
[M]+ 165.06967 128.4
[M]- 165.07077 128.4
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