CID 18071312

2-(chloromethyl)-5,6-difluoro-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C8H5ClF2N2
SMILES
C1=C2C(=CC(=C1F)F)N=C(N2)CCl
InChI
InChI=1S/C8H5ClF2N2/c9-3-8-12-6-1-4(10)5(11)2-7(6)13-8/h1-2H,3H2,(H,12,13)
InChIKey
XKSUDTNRLIXEFE-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5,6-difluoro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

202.01093 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01821 133.8
[M+Na]+ 225.00015 147.4
[M-H]- 201.00365 132.7
[M+NH4]+ 220.04475 154.1
[M+K]+ 240.97409 141.0
[M+H-H2O]+ 185.00819 126.3
[M+HCOO]- 247.00913 149.9
[M+CH3COO]- 261.02478 147.5
[M+Na-2H]- 222.98560 139.9
[M]+ 202.01038 134.5
[M]- 202.01148 134.5
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

patents stripe