CID 58061358

5-bromo-2-cyclopropylbenzaldehyde

Structural Information

Molecular Formula
C10H9BrO
SMILES
C1CC1C2=C(C=C(C=C2)Br)C=O
InChI
InChI=1S/C10H9BrO/c11-9-3-4-10(7-1-2-7)8(5-9)6-12/h3-7H,1-2H2
InChIKey
UDSWAYPTOVOUAU-UHFFFAOYSA-N
Compound name
5-bromo-2-cyclopropylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

223.98367 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.990946 139.4
[M+Na]+ 246.972888 153.4
[M-H]- 222.976394 149.8
[M+NH4]+ 242.017493 157.1
[M+K]+ 262.946828 141.9
[M+H-H2O]+ 206.980930 139.1
[M+HCOO]- 268.981871 162.0
[M+CH3COO]- 282.997521 189.6
[M+Na-2H]- 244.958336 147.1
[M]+ 223.98312142 159.8
[M]- 223.98421858 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