CID 81449932

1388029-43-3

Structural Information

Molecular Formula
C8H5ClF2N2
SMILES
C1=C(C=C(C2=C1NC(=N2)CCl)F)F
InChI
InChI=1S/C8H5ClF2N2/c9-3-7-12-6-2-4(10)1-5(11)8(6)13-7/h1-2H,3H2,(H,12,13)
InChIKey
VKXRXICQVHEEOX-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4,6-difluoro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.