CID 12754

1-bromo-2-chlorobenzene

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3458
Patents

189.91849 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.92577 126.5
[M+Na]+ 212.90771 132.6
[M+NH4]+ 207.95231 133.5
[M+K]+ 228.88165 130.9
[M-H]- 188.91121 128.4
[M+Na-2H]- 210.89316 132.5
[M]+ 189.91794 127.2
[M]- 189.91904 127.2
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