CID 468845

199594-81-5

Structural Information

Molecular Formula
C16H14F2N2O
SMILES
CC1=C2C(=CC=C1)N(C(=N2)CO)CC3=C(C=CC=C3F)F
InChI
InChI=1S/C16H14F2N2O/c1-10-4-2-7-14-16(10)19-15(9-21)20(14)8-11-12(17)5-3-6-13(11)18/h2-7,21H,8-9H2,1H3
InChIKey
ICUYCZJMCOJKBO-UHFFFAOYSA-N
Compound name
[1-[(2,6-difluorophenyl)methyl]-4-methylbenzimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

288.10742 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11470 163.7
[M+Na]+ 311.09664 176.1
[M-H]- 287.10014 166.2
[M+NH4]+ 306.14124 179.7
[M+K]+ 327.07058 169.2
[M+H-H2O]+ 271.10468 153.8
[M+HCOO]- 333.10562 183.3
[M+CH3COO]- 347.12127 175.7
[M+Na-2H]- 309.08209 166.6
[M]+ 288.10687 165.0
[M]- 288.10797 165.0
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.