CID 53256793

4-bromo-2-ethylbenzaldehyde

Structural Information

Molecular Formula
C9H9BrO
SMILES
CCC1=C(C=CC(=C1)Br)C=O
InChI
InChI=1S/C9H9BrO/c1-2-7-5-9(10)4-3-8(7)6-11/h3-6H,2H2,1H3
InChIKey
SQLKXUKAJYHRNP-UHFFFAOYSA-N
Compound name
4-bromo-2-ethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

211.98367 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 135.7
[M+Na]+ 234.97289 140.3
[M+NH4]+ 230.01749 141.2
[M+K]+ 250.94683 139.3
[M-H]- 210.97639 136.8
[M+Na-2H]- 232.95834 140.1
[M]+ 211.98312 135.5
[M]- 211.98422 135.5
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