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

140
Patents

195.98875 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.996026 133.1
[M+Na]+ 218.977968 146.6
[M-H]- 194.981474 143.4
[M+NH4]+ 214.022573 151.8
[M+K]+ 234.951908 135.7
[M+H-H2O]+ 178.986010 133.0
[M+HCOO]- 240.986951 155.9
[M+CH3COO]- 255.002601 185.0
[M+Na-2H]- 216.963416 142.1
[M]+ 195.98820142 152.2
[M]- 195.98929858 152.2
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