CID 13477029

170737-46-9

Structural Information

Molecular Formula
C11H7BrO
SMILES
C1=CC2=C(C=CC(=C2)Br)C=C1C=O
InChI
InChI=1S/C11H7BrO/c12-11-4-3-9-5-8(7-13)1-2-10(9)6-11/h1-7H
InChIKey
DLLDUYJRQNTEOR-UHFFFAOYSA-N
Compound name
6-bromonaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

360
Patents

233.96803 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.975306 140.3
[M+Na]+ 256.957248 153.3
[M-H]- 232.960754 147.9
[M+NH4]+ 252.001853 163.1
[M+K]+ 272.931188 141.8
[M+H-H2O]+ 216.965290 140.9
[M+HCOO]- 278.966231 162.0
[M+CH3COO]- 292.981881 188.4
[M+Na-2H]- 254.942696 150.1
[M]+ 233.96748142 159.8
[M]- 233.96857858 159.8
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