CID 22750149

2-bromophenyl cyclopropyl ketone

Structural Information

Molecular Formula
C10H9BrO
SMILES
C1CC1C(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C10H9BrO/c11-9-4-2-1-3-8(9)10(12)7-5-6-7/h1-4,7H,5-6H2
InChIKey
ZWWGZYWBHPVKBP-UHFFFAOYSA-N
Compound name
(2-bromophenyl)-cyclopropylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

223.98367 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99095 139.9
[M+Na]+ 246.97289 152.8
[M-H]- 222.97639 150.0
[M+NH4]+ 242.01749 157.3
[M+K]+ 262.94683 141.8
[M+H-H2O]+ 206.98093 139.5
[M+HCOO]- 268.98187 161.7
[M+CH3COO]- 282.99752 189.4
[M+Na-2H]- 244.95834 147.1
[M]+ 223.98312 159.4
[M]- 223.98422 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe