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

31
Patents

195.98875 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99603 128.4
[M+Na]+ 218.97797 134.7
[M+NH4]+ 214.02257 136.8
[M+K]+ 234.95191 133.2
[M-H]- 194.98147 137.2
[M+Na-2H]- 216.96342 138.5
[M]+ 195.98820 132.0
[M]- 195.98930 132.0
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