CID 308177

(2,2-dibromo-1-methylcyclopropyl)benzene

Structural Information

Molecular Formula
C10H10Br2
SMILES
CC1(CC1(Br)Br)C2=CC=CC=C2
InChI
InChI=1S/C10H10Br2/c1-9(7-10(9,11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
KGWGHLIDYDPYNQ-UHFFFAOYSA-N
Compound name
(2,2-dibromo-1-methylcyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

287.91492 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.92220 143.1
[M+Na]+ 310.90414 156.3
[M-H]- 286.90764 153.6
[M+NH4]+ 305.94874 162.1
[M+K]+ 326.87808 142.4
[M+H-H2O]+ 270.91218 152.7
[M+HCOO]- 332.91312 159.8
[M+CH3COO]- 346.92877 203.9
[M+Na-2H]- 308.88959 152.4
[M]+ 287.91437 178.2
[M]- 287.91547 178.2
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