CID 16767401

1187582-42-8

Structural Information

Molecular Formula
C9H10FN3
SMILES
C1=CC2=C(C=C1F)NC(=N2)CCN
InChI
InChI=1S/C9H10FN3/c10-6-1-2-7-8(5-6)13-9(12-7)3-4-11/h1-2,5H,3-4,11H2,(H,12,13)
InChIKey
DXRBTOABNFRJTK-UHFFFAOYSA-N
Compound name
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

179.08588 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.09316 134.3
[M+Na]+ 202.07510 144.9
[M-H]- 178.07860 133.9
[M+NH4]+ 197.11970 153.9
[M+K]+ 218.04904 140.1
[M+H-H2O]+ 162.08314 126.6
[M+HCOO]- 224.08408 156.3
[M+CH3COO]- 238.09973 147.4
[M+Na-2H]- 200.06055 141.1
[M]+ 179.08533 132.5
[M]- 179.08643 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe