CID 135740402

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

Structural Information

Molecular Formula
C14H12N2O
SMILES
CC1=CC(=C(C=C1)O)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C14H12N2O/c1-9-6-7-13(17)10(8-9)14-15-11-4-2-3-5-12(11)16-14/h2-8,17H,1H3,(H,15,16)
InChIKey
DHGDWTMPWISXNH-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

224.09496 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 148.5
[M+Na]+ 247.08418 159.6
[M-H]- 223.08768 152.2
[M+NH4]+ 242.12878 166.0
[M+K]+ 263.05812 153.3
[M+H-H2O]+ 207.09222 141.1
[M+HCOO]- 269.09316 169.6
[M+CH3COO]- 283.10881 161.4
[M+Na-2H]- 245.06963 154.9
[M]+ 224.09441 148.7
[M]- 224.09551 148.7
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