CID 123552

2-bromo-6-chlorotoluene

Structural Information

Molecular Formula
C7H6BrCl
SMILES
CC1=C(C=CC=C1Br)Cl
InChI
InChI=1S/C7H6BrCl/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
InChIKey
DMARBQGIQKLIPM-UHFFFAOYSA-N
Compound name
1-bromo-3-chloro-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

369
Patents

203.93414 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.94142 130.5
[M+Na]+ 226.92336 136.7
[M+NH4]+ 221.96796 137.3
[M+K]+ 242.89730 134.9
[M-H]- 202.92686 132.4
[M+Na-2H]- 224.90881 136.1
[M]+ 203.93359 131.2
[M]- 203.93469 131.2
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

patents stripe