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]+ 159.072826 128.7
[M+Na]+ 181.054768 137.9
[M-H]- 157.058274 126.6
[M+NH4]+ 176.099373 151.0
[M+K]+ 197.028708 134.5
[M+H-H2O]+ 141.062810 120.8
[M+HCOO]- 203.063751 145.5
[M+CH3COO]- 217.079401 141.2
[M+Na-2H]- 179.040216 135.1
[M]+ 158.06500142 122.1
[M]- 158.06609858 122.1
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.