CID 154577697

6,6-difluoro-4,5,6,7-tetrahydro-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C7H8F2N2
SMILES
C1CC(CC2=C1N=CN2)(F)F
InChI
InChI=1S/C7H8F2N2/c8-7(9)2-1-5-6(3-7)11-4-10-5/h4H,1-3H2,(H,10,11)
InChIKey
GZDQKILZXWFCPK-UHFFFAOYSA-N
Compound name
6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.06555 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.07283 131.6
[M+Na]+ 181.05477 141.3
[M+NH4]+ 176.09937 140.5
[M+K]+ 197.02871 135.4
[M-H]- 157.05827 129.5
[M+Na-2H]- 179.04022 136.6
[M]+ 158.06500 132.2
[M]- 158.06610 132.2
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.