CID 345677

4-(1h-1,3-benzodiazol-2-yl)aniline

Structural Information

Molecular Formula
C13H11N3
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N
InChI
InChI=1S/C13H11N3/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,14H2,(H,15,16)
InChIKey
VQFBXSRZSUJGOF-UHFFFAOYSA-N
Compound name
4-(1H-benzimidazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

407
Patents

209.09529 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10257 143.5
[M+Na]+ 232.08451 153.8
[M-H]- 208.08801 147.7
[M+NH4]+ 227.12911 161.5
[M+K]+ 248.05845 147.5
[M+H-H2O]+ 192.09255 135.6
[M+HCOO]- 254.09349 166.7
[M+CH3COO]- 268.10914 156.5
[M+Na-2H]- 230.06996 151.3
[M]+ 209.09474 141.7
[M]- 209.09584 141.7
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