CID 468844

199594-68-8

Structural Information

Molecular Formula
C15H12F2N2
SMILES
CC1=NC2=CC=CC=C2N1CC3=C(C=CC=C3F)F
InChI
InChI=1S/C15H12F2N2/c1-10-18-14-7-2-3-8-15(14)19(10)9-11-12(16)5-4-6-13(11)17/h2-8H,9H2,1H3
InChIKey
YNPAZAWNADNDRF-UHFFFAOYSA-N
Compound name
1-[(2,6-difluorophenyl)methyl]-2-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

258.09686 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10414 155.1
[M+Na]+ 281.08608 167.7
[M-H]- 257.08958 158.8
[M+NH4]+ 276.13068 172.8
[M+K]+ 297.06002 161.3
[M+H-H2O]+ 241.09412 145.1
[M+HCOO]- 303.09506 176.4
[M+CH3COO]- 317.11071 168.2
[M+Na-2H]- 279.07153 159.7
[M]+ 258.09631 156.1
[M]- 258.09741 156.1
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.