CID 43660583

1155094-40-8

Structural Information

Molecular Formula
C14H10ClFN2
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)F)N=C2CCl
InChI
InChI=1S/C14H10ClFN2/c15-9-14-17-12-8-10(16)6-7-13(12)18(14)11-4-2-1-3-5-11/h1-8H,9H2
InChIKey
QKHHNROCPIPVMG-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-fluoro-1-phenylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.05167 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05895 154.2
[M+Na]+ 283.04089 167.0
[M-H]- 259.04439 158.6
[M+NH4]+ 278.08549 172.4
[M+K]+ 299.01483 159.6
[M+H-H2O]+ 243.04893 145.2
[M+HCOO]- 305.04987 172.2
[M+CH3COO]- 319.06552 167.4
[M+Na-2H]- 281.02634 160.1
[M]+ 260.05112 157.5
[M]- 260.05222 157.5
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.