CID 135988298

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

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
CC1=C(C(=CC=C1)C2=NC3=C(N2)C=C(C=C3)Cl)O
InChI
InChI=1S/C14H11ClN2O/c1-8-3-2-4-10(13(8)18)14-16-11-6-5-9(15)7-12(11)17-14/h2-7,18H,1H3,(H,16,17)
InChIKey
VIFGEAGVLKMFTI-UHFFFAOYSA-N
Compound name
2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.056 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.063276 155.5
[M+Na]+ 281.045218 168.1
[M-H]- 257.048724 159.1
[M+NH4]+ 276.089823 172.7
[M+K]+ 297.019158 160.3
[M+H-H2O]+ 241.053260 148.5
[M+HCOO]- 303.054201 171.8
[M+CH3COO]- 317.069851 168.2
[M+Na-2H]- 279.030666 160.5
[M]+ 258.05545142 158.1
[M]- 258.05654858 158.1
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.