CID 98760

Benzene, (1-methylethyl)(2-phenylethyl)-

Structural Information

Molecular Formula
C11H8N2O
SMILES
C1=CC(=CC2=C1C=CC3=C2N=CN3)O
InChI
InChI=1S/C11H8N2O/c14-8-3-1-7-2-4-10-11(9(7)5-8)13-6-12-10/h1-6,14H,(H,12,13)
InChIKey
RPDZLMLGUVJIQG-UHFFFAOYSA-N
Compound name
3H-benzo[e]benzimidazol-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

184.06366 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07094 135.6
[M+Na]+ 207.05288 147.1
[M-H]- 183.05638 136.9
[M+NH4]+ 202.09748 155.8
[M+K]+ 223.02682 141.5
[M+H-H2O]+ 167.06092 129.1
[M+HCOO]- 229.06186 156.1
[M+CH3COO]- 243.07751 149.1
[M+Na-2H]- 205.03833 145.0
[M]+ 184.06311 135.7
[M]- 184.06421 135.7
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