CID 220379

(2,2-dibromocyclopropyl)benzene

Structural Information

Molecular Formula
C9H8Br2
SMILES
C1C(C1(Br)Br)C2=CC=CC=C2
InChI
InChI=1S/C9H8Br2/c10-9(11)6-8(9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
RRSAMRMQHHYSGN-UHFFFAOYSA-N
Compound name
(2,2-dibromocyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

273.8993 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.906576 140.4
[M+Na]+ 296.888518 153.4
[M-H]- 272.892024 150.7
[M+NH4]+ 291.933123 158.4
[M+K]+ 312.862458 138.9
[M+H-H2O]+ 256.896560 149.1
[M+HCOO]- 318.897501 157.5
[M+CH3COO]- 332.913151 155.3
[M+Na-2H]- 294.873966 149.3
[M]+ 273.89875142 174.6
[M]- 273.89984858 174.6
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