CID 12221356

1-bromo-2-cyclopropylbenzene

Structural Information

Molecular Formula
C9H9Br
SMILES
C1CC1C2=CC=CC=C2Br
InChI
InChI=1S/C9H9Br/c10-9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6H2
InChIKey
DTUGHJZKCKSVEO-UHFFFAOYSA-N
Compound name
1-bromo-2-cyclopropylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

195.98875 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99603 125.6
[M+Na]+ 218.97797 132.0
[M+NH4]+ 214.02257 132.8
[M+K]+ 234.95191 132.1
[M-H]- 194.98147 134.3
[M+Na-2H]- 216.96342 134.4
[M]+ 195.98820 129.0
[M]- 195.98930 129.0
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