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]+ 203.018206 133.8
[M+Na]+ 225.000148 147.4
[M-H]- 201.003654 132.7
[M+NH4]+ 220.044753 154.1
[M+K]+ 240.974088 141.0
[M+H-H2O]+ 185.008190 126.3
[M+HCOO]- 247.009131 149.9
[M+CH3COO]- 261.024781 147.5
[M+Na-2H]- 222.985596 139.9
[M]+ 202.01038142 134.5
[M]- 202.01147858 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.