CID 50988994

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

Structural Information

Molecular Formula
C14H11FN2O
SMILES
CN1C2=C(C=C(C=C2)F)N=C1C3=CC(=CC=C3)O
InChI
InChI=1S/C14H11FN2O/c1-17-13-6-5-10(15)8-12(13)16-14(17)9-3-2-4-11(18)7-9/h2-8,18H,1H3
InChIKey
KTBPREWMDGNOEM-UHFFFAOYSA-N
Compound name
3-(5-fluoro-1-methylbenzimidazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.08554 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09282 151.2
[M+Na]+ 265.07476 163.6
[M-H]- 241.07826 155.2
[M+NH4]+ 260.11936 168.9
[M+K]+ 281.04870 157.7
[M+H-H2O]+ 225.08280 142.6
[M+HCOO]- 287.08374 172.7
[M+CH3COO]- 301.09939 164.5
[M+Na-2H]- 263.06021 156.6
[M]+ 242.08499 152.5
[M]- 242.08609 152.5
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.