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

12
Patents

223.98367 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99095 139.4
[M+Na]+ 246.97289 153.4
[M-H]- 222.97639 149.8
[M+NH4]+ 242.01749 157.1
[M+K]+ 262.94683 141.9
[M+H-H2O]+ 206.98093 139.1
[M+HCOO]- 268.98187 162.0
[M+CH3COO]- 282.99752 189.6
[M+Na-2H]- 244.95834 147.1
[M]+ 223.98312 159.8
[M]- 223.98422 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