CID 962386

637325-08-7

Structural Information

Molecular Formula
C16H15FN2
SMILES
CC1=CC2=C(C=C1C)N(C=N2)CC3=CC=C(C=C3)F
InChI
InChI=1S/C16H15FN2/c1-11-7-15-16(8-12(11)2)19(10-18-15)9-13-3-5-14(17)6-4-13/h3-8,10H,9H2,1-2H3
InChIKey
LWXNLJKEAXJWAU-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.12193 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12921 157.0
[M+Na]+ 277.11115 169.0
[M-H]- 253.11465 161.8
[M+NH4]+ 272.15575 174.9
[M+K]+ 293.08509 162.9
[M+H-H2O]+ 237.11919 147.7
[M+HCOO]- 299.12013 179.0
[M+CH3COO]- 313.13578 170.2
[M+Na-2H]- 275.09660 161.6
[M]+ 254.12138 159.3
[M]- 254.12248 159.3
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