CID 10656207

2-(2-bromoethyl)benzaldehyde

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1=CC=C(C(=C1)CCBr)C=O
InChI
InChI=1S/C9H9BrO/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4,7H,5-6H2
InChIKey
PHDOYZATHWYOJK-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

211.98367 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.990946 135.9
[M+Na]+ 234.972888 147.7
[M-H]- 210.976394 142.3
[M+NH4]+ 230.017493 158.5
[M+K]+ 250.946828 136.8
[M+H-H2O]+ 194.980930 136.4
[M+HCOO]- 256.981871 158.4
[M+CH3COO]- 270.997521 184.1
[M+Na-2H]- 232.958336 144.5
[M]+ 211.98312142 155.5
[M]- 211.98421858 155.5
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