CID 8063359

1-bromo-4-(4-bromobutoxy)benzene

Structural Information

Molecular Formula
C10H12Br2O
SMILES
C1=CC(=CC=C1OCCCCBr)Br
InChI
InChI=1S/C10H12Br2O/c11-7-1-2-8-13-10-5-3-9(12)4-6-10/h3-6H,1-2,7-8H2
InChIKey
PFJJSJUHSJLURH-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-bromobutoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

305.92548 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.93276 144.9
[M+Na]+ 328.91470 155.1
[M-H]- 304.91820 151.4
[M+NH4]+ 323.95930 163.9
[M+K]+ 344.88864 139.8
[M+H-H2O]+ 288.92274 152.9
[M+HCOO]- 350.92368 161.3
[M+CH3COO]- 364.93933 204.6
[M+Na-2H]- 326.90015 152.3
[M]+ 305.92493 180.3
[M]- 305.92603 180.3
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