CID 347924

1-bromo-4-(3-bromopropoxy)benzene

Structural Information

Molecular Formula
C9H10Br2O
SMILES
C1=CC(=CC=C1OCCCBr)Br
InChI
InChI=1S/C9H10Br2O/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H2
InChIKey
SBXHUNUKIBIOEC-UHFFFAOYSA-N
Compound name
1-bromo-4-(3-bromopropoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

291.90985 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.91713 140.7
[M+Na]+ 314.89907 151.3
[M-H]- 290.90257 147.4
[M+NH4]+ 309.94367 160.2
[M+K]+ 330.87301 136.2
[M+H-H2O]+ 274.90711 148.9
[M+HCOO]- 336.90805 157.5
[M+CH3COO]- 350.92370 202.4
[M+Na-2H]- 312.88452 148.7
[M]+ 291.90930 175.9
[M]- 291.91040 175.9
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