CID 136089718

2-(5-fluoro-1-methyl-1h-1,3-benzodiazol-2-yl)-6-methylphenol

Structural Information

Molecular Formula
C15H13FN2O
SMILES
CC1=C(C(=CC=C1)C2=NC3=C(N2C)C=CC(=C3)F)O
InChI
InChI=1S/C15H13FN2O/c1-9-4-3-5-11(14(9)19)15-17-12-8-10(16)6-7-13(12)18(15)2/h3-8,19H,1-2H3
InChIKey
HLDDYLZRZNBJNJ-UHFFFAOYSA-N
Compound name
2-(5-fluoro-1-methylbenzimidazol-2-yl)-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1012 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10848 156.1
[M+Na]+ 279.09042 169.0
[M-H]- 255.09392 160.3
[M+NH4]+ 274.13502 173.6
[M+K]+ 295.06436 162.9
[M+H-H2O]+ 239.09846 147.6
[M+HCOO]- 301.09940 177.2
[M+CH3COO]- 315.11505 169.3
[M+Na-2H]- 277.07587 160.2
[M]+ 256.10065 158.2
[M]- 256.10175 158.2
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

No patent data available for this compound.