CID 468843

199594-82-6

Structural Information

Molecular Formula
C15H12F2N2
SMILES
CC1=C2C(=CC=C1)N(C=N2)CC3=C(C=CC=C3F)F
InChI
InChI=1S/C15H12F2N2/c1-10-4-2-7-14-15(10)18-9-19(14)8-11-12(16)5-3-6-13(11)17/h2-7,9H,8H2,1H3
InChIKey
VPEWBYMJUVSDBS-UHFFFAOYSA-N
Compound name
1-[(2,6-difluorophenyl)methyl]-4-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
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

literature stripe

Patent stripe

patents stripe