CID 21985828

401567-12-2

Structural Information

Molecular Formula
C8H6ClFN2
SMILES
CN1C2=C(C=C(C=C2)F)N=C1Cl
InChI
InChI=1S/C8H6ClFN2/c1-12-7-3-2-5(10)4-6(7)11-8(12)9/h2-4H,1H3
InChIKey
ZOHVWGDSBHMZLO-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoro-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

184.02036 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02764 131.4
[M+Na]+ 207.00958 145.4
[M-H]- 183.01308 133.1
[M+NH4]+ 202.05418 153.3
[M+K]+ 222.98352 140.4
[M+H-H2O]+ 167.01762 124.6
[M+HCOO]- 229.01856 150.1
[M+CH3COO]- 243.03421 146.4
[M+Na-2H]- 204.99503 138.5
[M]+ 184.01981 135.0
[M]- 184.02091 135.0
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

patents stripe