CID 23502728

2-(3-bromopropyl)-1,3-difluorobenzene

Structural Information

Molecular Formula
C9H9BrF2
SMILES
C1=CC(=C(C(=C1)F)CCCBr)F
InChI
InChI=1S/C9H9BrF2/c10-6-2-3-7-8(11)4-1-5-9(7)12/h1,4-5H,2-3,6H2
InChIKey
LVIQDVWDGUSTIG-UHFFFAOYSA-N
Compound name
2-(3-bromopropyl)-1,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

233.98557 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99285 141.8
[M+Na]+ 256.97479 154.3
[M-H]- 232.97829 145.9
[M+NH4]+ 252.01939 163.8
[M+K]+ 272.94873 142.6
[M+H-H2O]+ 216.98283 140.7
[M+HCOO]- 278.98377 161.8
[M+CH3COO]- 292.99942 189.3
[M+Na-2H]- 254.96024 148.3
[M]+ 233.98502 158.8
[M]- 233.98612 158.8
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