CID 61097323

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

Structural Information

Molecular Formula
C9H9BrF2
SMILES
CCC(C1=C(C=C(C=C1)F)F)Br
InChI
InChI=1S/C9H9BrF2/c1-2-8(10)7-4-3-6(11)5-9(7)12/h3-5,8H,2H2,1H3
InChIKey
VVVIEAMNBUJAAP-UHFFFAOYSA-N
Compound name
1-(1-bromopropyl)-2,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

233.98557 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.992846 142.4
[M+Na]+ 256.974788 154.6
[M-H]- 232.978294 146.6
[M+NH4]+ 252.019393 164.3
[M+K]+ 272.948728 143.3
[M+H-H2O]+ 216.982830 141.3
[M+HCOO]- 278.983771 161.4
[M+CH3COO]- 292.999421 190.1
[M+Na-2H]- 254.960236 147.6
[M]+ 233.98502142 158.7
[M]- 233.98611858 158.7
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