CID 18673640

303779-66-0

Structural Information

Molecular Formula
C11H7BrO
SMILES
C1=CC=C2C(=C1)C=C(C=C2C=O)Br
InChI
InChI=1S/C11H7BrO/c12-10-5-8-3-1-2-4-11(8)9(6-10)7-13/h1-7H
InChIKey
VMPJCCFHSYZCJZ-UHFFFAOYSA-N
Compound name
3-bromonaphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

233.96803 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.97531 140.3
[M+Na]+ 256.95725 153.3
[M-H]- 232.96075 147.9
[M+NH4]+ 252.00185 163.1
[M+K]+ 272.93119 141.8
[M+H-H2O]+ 216.96529 140.9
[M+HCOO]- 278.96623 162.0
[M+CH3COO]- 292.98188 188.4
[M+Na-2H]- 254.94270 150.1
[M]+ 233.96748 159.8
[M]- 233.96858 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

No literature data available for this compound.

Patent stripe

patents stripe