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]+ 212.099376 141.7
[M+Na]+ 234.081318 152.0
[M-H]- 210.084824 141.2
[M+NH4]+ 229.125923 160.5
[M+K]+ 250.055258 147.8
[M+H-H2O]+ 194.089360 132.6
[M+HCOO]- 256.090301 162.8
[M+CH3COO]- 270.105951 189.5
[M+Na-2H]- 232.066766 146.6
[M]+ 211.09155142 140.3
[M]- 211.09264858 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.