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

38
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 133.7
[M+Na]+ 218.97797 147.0
[M-H]- 194.98147 144.1
[M+NH4]+ 214.02257 153.9
[M+K]+ 234.95191 137.1
[M+H-H2O]+ 178.98601 134.5
[M+HCOO]- 240.98695 156.2
[M+CH3COO]- 255.00260 149.8
[M+Na-2H]- 216.96342 144.2
[M]+ 195.98820 153.0
[M]- 195.98930 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