CID 64905878

1370656-84-0

Structural Information

Molecular Formula
C11H11BrO
SMILES
C1CC1CC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C11H11BrO/c12-10-3-1-2-9(7-10)11(13)6-8-4-5-8/h1-3,7-8H,4-6H2
InChIKey
NJYUSUXSUXZYMY-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-2-cyclopropylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.99933 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00661 144.2
[M+Na]+ 260.98855 156.7
[M-H]- 236.99205 154.2
[M+NH4]+ 256.03315 161.1
[M+K]+ 276.96249 145.4
[M+H-H2O]+ 220.99659 143.7
[M+HCOO]- 282.99753 165.7
[M+CH3COO]- 297.01318 192.0
[M+Na-2H]- 258.97400 150.9
[M]+ 237.99878 164.1
[M]- 237.99988 164.1
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

No patent data available for this compound.