CID 18071316

2-[1-(difluoromethyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C10H11F2N3
SMILES
C1=CC=C2C(=C1)N=C(N2C(F)F)CCN
InChI
InChI=1S/C10H11F2N3/c11-10(12)15-8-4-2-1-3-7(8)14-9(15)5-6-13/h1-4,10H,5-6,13H2
InChIKey
AJOVVJRPHDKNEP-UHFFFAOYSA-N
Compound name
2-[1-(difluoromethyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0921 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09938 141.7
[M+Na]+ 234.08132 152.0
[M-H]- 210.08482 141.2
[M+NH4]+ 229.12592 160.5
[M+K]+ 250.05526 147.8
[M+H-H2O]+ 194.08936 132.6
[M+HCOO]- 256.09030 162.8
[M+CH3COO]- 270.10595 189.5
[M+Na-2H]- 232.06677 146.6
[M]+ 211.09155 140.3
[M]- 211.09265 140.3
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.