CID 3403551

1,2-bis(bromomethyl)naphthalene

Structural Information

Molecular Formula
C12H10Br2
SMILES
C1=CC=C2C(=C1)C=CC(=C2CBr)CBr
InChI
InChI=1S/C12H10Br2/c13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14/h1-6H,7-8H2
InChIKey
FONHMGXRXCPGMD-UHFFFAOYSA-N
Compound name
1,2-bis(bromomethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

311.91492 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.92220 146.7
[M+Na]+ 334.90414 157.7
[M-H]- 310.90764 154.2
[M+NH4]+ 329.94874 166.5
[M+K]+ 350.87808 142.3
[M+H-H2O]+ 294.91218 155.4
[M+HCOO]- 356.91312 162.5
[M+CH3COO]- 370.92877 160.9
[M+Na-2H]- 332.88959 155.1
[M]+ 311.91437 181.0
[M]- 311.91547 181.0
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