CID 16227802

2-[1-(difluoromethyl)-1h-1,3-benzodiazol-2-yl]acetonitrile

Structural Information

Molecular Formula
C10H7F2N3
SMILES
C1=CC=C2C(=C1)N=C(N2C(F)F)CC#N
InChI
InChI=1S/C10H7F2N3/c11-10(12)15-8-4-2-1-3-7(8)14-9(15)5-6-13/h1-4,10H,5H2
InChIKey
XJOCJOKXQLDZAU-UHFFFAOYSA-N
Compound name
2-[1-(difluoromethyl)benzimidazol-2-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0608 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06808 137.7
[M+Na]+ 230.05002 150.0
[M-H]- 206.05352 136.5
[M+NH4]+ 225.09462 154.7
[M+K]+ 246.02396 144.8
[M+H-H2O]+ 190.05806 121.9
[M+HCOO]- 252.05900 154.7
[M+CH3COO]- 266.07465 149.1
[M+Na-2H]- 228.03547 142.7
[M]+ 207.06025 132.4
[M]- 207.06135 132.4
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

No patent data available for this compound.