CID 53433976

1-(3-bromopropyl)-2,4-difluorobenzene

Structural Information

Molecular Formula
C9H9BrF2
SMILES
C1=CC(=C(C=C1F)F)CCCBr
InChI
InChI=1S/C9H9BrF2/c10-5-1-2-7-3-4-8(11)6-9(7)12/h3-4,6H,1-2,5H2
InChIKey
YASBMSOJNYBTSC-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-2,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

233.98557 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.992846 141.8
[M+Na]+ 256.974788 154.3
[M-H]- 232.978294 145.9
[M+NH4]+ 252.019393 163.8
[M+K]+ 272.948728 142.6
[M+H-H2O]+ 216.982830 140.7
[M+HCOO]- 278.983771 161.8
[M+CH3COO]- 292.999421 189.3
[M+Na-2H]- 254.960236 148.3
[M]+ 233.98502142 158.8
[M]- 233.98611858 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