CID 13805765

2-bromomethyl-1-chloro-naphthalene

Structural Information

Molecular Formula
C11H8BrCl
SMILES
C1=CC=C2C(=C1)C=CC(=C2Cl)CBr
InChI
InChI=1S/C11H8BrCl/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-6H,7H2
InChIKey
ULEVWWKVFCJCMF-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-chloronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

253.94978 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.95706 144.3
[M+Na]+ 276.93900 158.1
[M-H]- 252.94250 151.7
[M+NH4]+ 271.98360 167.3
[M+K]+ 292.91294 144.7
[M+H-H2O]+ 236.94704 145.7
[M+HCOO]- 298.94798 161.2
[M+CH3COO]- 312.96363 160.0
[M+Na-2H]- 274.92445 153.6
[M]+ 253.94923 165.0
[M]- 253.95033 165.0
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