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 128.7
[M+Na]+ 181.05477 137.9
[M-H]- 157.05827 126.6
[M+NH4]+ 176.09937 151.0
[M+K]+ 197.02871 134.5
[M+H-H2O]+ 141.06281 120.8
[M+HCOO]- 203.06375 145.5
[M+CH3COO]- 217.07940 141.2
[M+Na-2H]- 179.04022 135.1
[M]+ 158.06500 122.1
[M]- 158.06610 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.