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
10
Annotation Hits

1448
References

160280
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 115.5
[M+Na]+ 134.99720 125.0
[M-H]- 111.00070 119.4
[M+NH4]+ 130.04180 139.2
[M+K]+ 150.97114 122.0
[M+H-H2O]+ 95.005240 111.6
[M+HCOO]- 157.00618 136.5
[M+CH3COO]- 171.02183 166.4
[M+Na-2H]- 132.98265 125.2
[M]+ 112.00743 116.3
[M]- 112.00853 116.3
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.