CID 7928

1-bromo-3-chlorobenzene

Structural Information

Molecular Formula
C6H4BrCl
SMILES
C1=CC(=CC(=C1)Br)Cl
InChI
InChI=1S/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey
JRGGUPZKKTVKOV-UHFFFAOYSA-N
Compound name
1-bromo-3-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4342
Patents

189.91849 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.92577 125.6
[M+Na]+ 212.90771 139.4
[M-H]- 188.91121 132.4
[M+NH4]+ 207.95231 150.0
[M+K]+ 228.88165 127.3
[M+H-H2O]+ 172.91575 127.7
[M+HCOO]- 234.91669 144.2
[M+CH3COO]- 248.93234 178.3
[M+Na-2H]- 210.89316 135.5
[M]+ 189.91794 145.2
[M]- 189.91904 145.2
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