CID 68631263

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

Structural Information

Molecular Formula
C9H9BrF2
SMILES
CC(CC1=C(C=C(C=C1)F)F)Br
InChI
InChI=1S/C9H9BrF2/c1-6(10)4-7-2-3-8(11)5-9(7)12/h2-3,5-6H,4H2,1H3
InChIKey
KCCSQLDNZUFUBS-UHFFFAOYSA-N
Compound name
1-(2-bromopropyl)-2,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.98557 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99285 142.4
[M+Na]+ 256.97479 154.6
[M-H]- 232.97829 146.6
[M+NH4]+ 252.01939 164.3
[M+K]+ 272.94873 143.3
[M+H-H2O]+ 216.98283 141.3
[M+HCOO]- 278.98377 161.4
[M+CH3COO]- 292.99942 190.1
[M+Na-2H]- 254.96024 147.6
[M]+ 233.98502 158.7
[M]- 233.98612 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