CID 23441219

256519-11-6

Structural Information

Molecular Formula

C₇H₄ClFN₂

SMILES

C1=CC2=C(C(=C1)F)N=C(N2)Cl

InChI

InChI=1S/C7H4ClFN2/c8-7-10-5-3-1-2-4(9)6(5)11-7/h1-3H,(H,10,11)

InChIKey

ZFSLVIPTTSYCLG-UHFFFAOYSA-N

Compound name

2-chloro-4-fluoro-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 170.0047 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.01198	126.8
[M+Na]+	192.99392	141.5
[M+NH4]+	188.03852	135.8
[M+K]+	208.96786	136.0
[M-H]-	168.99742	127.0
[M+Na-2H]-	190.97937	134.0
[M]+	170.00415	129.2
[M]-	170.00525	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe