CID 14029661

1,3-dibromo-2-chlorobenzene

Structural Information

Molecular Formula
C6H3Br2Cl
SMILES
C1=CC(=C(C(=C1)Br)Cl)Br
InChI
InChI=1S/C6H3Br2Cl/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKey
IRPWVEBIMPXCAZ-UHFFFAOYSA-N
Compound name
1,3-dibromo-2-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

651
Patents

267.829 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.83628 130.4
[M+Na]+ 290.81822 144.0
[M-H]- 266.82172 137.8
[M+NH4]+ 285.86282 151.8
[M+K]+ 306.79216 127.2
[M+H-H2O]+ 250.82626 140.1
[M+HCOO]- 312.82720 144.2
[M+CH3COO]- 326.84285 197.8
[M+Na-2H]- 288.80367 139.1
[M]+ 267.82845 165.4
[M]- 267.82955 165.4
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