CID 7964

Chlorobenzene

Structural Information

Molecular Formula
C6H5Cl
SMILES
C1=CC=C(C=C1)Cl
InChI
InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
InChIKey
MVPPADPHJFYWMZ-UHFFFAOYSA-N
Compound name
chlorobenzene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1440
References

210406
Patents

112.00798 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.01526 115.8
[M+Na]+ 134.99720 131.3
[M+NH4]+ 130.04180 126.9
[M+K]+ 150.97114 123.1
[M-H]- 111.00070 119.5
[M+Na-2H]- 132.98265 125.7
[M]+ 112.00743 119.5
[M]- 112.00853 119.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe