CID 24709944

2-[(2-fluorophenyl)methyl]-1h-1,3-benzodiazol-5-amine dihydrochloride

Structural Information

Molecular Formula
C14H12FN3
SMILES
C1=CC=C(C(=C1)CC2=NC3=C(N2)C=C(C=C3)N)F
InChI
InChI=1S/C14H12FN3/c15-11-4-2-1-3-9(11)7-14-17-12-6-5-10(16)8-13(12)18-14/h1-6,8H,7,16H2,(H,17,18)
InChIKey
DCBDDOHZLAXHNC-UHFFFAOYSA-N
Compound name
2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.10153 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.10881 151.3
[M+Na]+ 264.09075 162.0
[M-H]- 240.09425 154.3
[M+NH4]+ 259.13535 168.2
[M+K]+ 280.06469 155.1
[M+H-H2O]+ 224.09879 142.3
[M+HCOO]- 286.09973 173.0
[M+CH3COO]- 300.11538 163.6
[M+Na-2H]- 262.07620 157.1
[M]+ 241.10098 149.2
[M]- 241.10208 149.2
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.