CID 12611482

1-bromo-2-chloronaphthalene

Structural Information

Molecular Formula
C10H6BrCl
SMILES
C1=CC=C2C(=C1)C=CC(=C2Br)Cl
InChI
InChI=1S/C10H6BrCl/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6H
InChIKey
NDXQDKJSFNZMJK-UHFFFAOYSA-N
Compound name
1-bromo-2-chloronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

239.93414 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.94142 139.5
[M+Na]+ 262.92336 153.8
[M-H]- 238.92686 147.1
[M+NH4]+ 257.96796 163.1
[M+K]+ 278.89730 140.6
[M+H-H2O]+ 222.93140 141.2
[M+HCOO]- 284.93234 156.8
[M+CH3COO]- 298.94799 155.7
[M+Na-2H]- 260.90881 149.4
[M]+ 239.93359 159.9
[M]- 239.93469 159.9
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