CID 82094248

1226391-94-1

Structural Information

Molecular Formula
C10H10Br2
SMILES
C1CC1(CBr)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H10Br2/c11-7-10(4-5-10)8-2-1-3-9(12)6-8/h1-3,6H,4-5,7H2
InChIKey
CFPDWCGKBLJUIA-UHFFFAOYSA-N
Compound name
1-bromo-3-[1-(bromomethyl)cyclopropyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

287.91492 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.92220 144.2
[M+Na]+ 310.90414 156.9
[M-H]- 286.90764 154.3
[M+NH4]+ 305.94874 161.8
[M+K]+ 326.87808 142.2
[M+H-H2O]+ 270.91218 152.8
[M+HCOO]- 332.91312 161.1
[M+CH3COO]- 346.92877 204.1
[M+Na-2H]- 308.88959 152.6
[M]+ 287.91437 178.7
[M]- 287.91547 178.7
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