CID 609899

5-bromo-2-chlorotoluene

Structural Information

Molecular Formula
C7H6BrCl
SMILES
CC1=C(C=CC(=C1)Br)Cl
InChI
InChI=1S/C7H6BrCl/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey
OZFQMHJKAODEON-UHFFFAOYSA-N
Compound name
4-bromo-1-chloro-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

659
Patents

203.93414 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.94142 129.5
[M+Na]+ 226.92336 143.8
[M-H]- 202.92686 136.5
[M+NH4]+ 221.96796 153.7
[M+K]+ 242.89730 131.4
[M+H-H2O]+ 186.93140 131.6
[M+HCOO]- 248.93234 147.8
[M+CH3COO]- 262.94799 182.2
[M+Na-2H]- 224.90881 138.2
[M]+ 203.93359 149.8
[M]- 203.93469 149.8
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