CID 21257386

1-(4-bromophenyl)cyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C10H9BrO
SMILES
C1CC1(C=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9BrO/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4,7H,5-6H2
InChIKey
WNPUSMVNRHDNHG-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

223.98367 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99095 139.7
[M+Na]+ 246.97289 153.5
[M-H]- 222.97639 150.2
[M+NH4]+ 242.01749 158.9
[M+K]+ 262.94683 143.1
[M+H-H2O]+ 206.98093 140.3
[M+HCOO]- 268.98187 162.1
[M+CH3COO]- 282.99752 188.2
[M+Na-2H]- 244.95834 149.0
[M]+ 223.98312 160.3
[M]- 223.98422 160.3
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