CID 12586662

(1-bromocyclopropyl)benzene

Structural Information

Molecular Formula
C9H9Br
SMILES
C1CC1(C2=CC=CC=C2)Br
InChI
InChI=1S/C9H9Br/c10-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
TWPBXTRRXMHIGP-UHFFFAOYSA-N
Compound name
(1-bromocyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

195.98875 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.996026 133.7
[M+Na]+ 218.977968 147.0
[M-H]- 194.981474 144.1
[M+NH4]+ 214.022573 153.9
[M+K]+ 234.951908 137.1
[M+H-H2O]+ 178.986010 134.5
[M+HCOO]- 240.986951 156.2
[M+CH3COO]- 255.002601 149.8
[M+Na-2H]- 216.963416 144.2
[M]+ 195.98820142 153.0
[M]- 195.98929858 153.0
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