CID 63636166

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

Structural Information

Molecular Formula
C11H13F2N3
SMILES
C1=CC=C2C(=C1)N=C(N2CC(F)F)CCN
InChI
InChI=1S/C11H13F2N3/c12-10(13)7-16-9-4-2-1-3-8(9)15-11(16)5-6-14/h1-4,10H,5-7,14H2
InChIKey
ZMLMGMJMHKAUCF-UHFFFAOYSA-N
Compound name
2-[1-(2,2-difluoroethyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10776 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11504 146.4
[M+Na]+ 248.09698 156.2
[M-H]- 224.10048 145.7
[M+NH4]+ 243.14158 164.7
[M+K]+ 264.07092 151.8
[M+H-H2O]+ 208.10502 137.1
[M+HCOO]- 270.10596 167.1
[M+CH3COO]- 284.12161 192.5
[M+Na-2H]- 246.08243 150.8
[M]+ 225.10721 145.4
[M]- 225.10831 145.4
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.