CID 54772247

1-bromo-4-(1,1-difluoropropyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

233.98557 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.992846 143.5
[M+Na]+ 256.974788 155.6
[M-H]- 232.978294 147.6
[M+NH4]+ 252.019393 165.3
[M+K]+ 272.948728 144.2
[M+H-H2O]+ 216.982830 142.8
[M+HCOO]- 278.983771 162.0
[M+CH3COO]- 292.999421 188.6
[M+Na-2H]- 254.960236 151.1
[M]+ 233.98502142 159.7
[M]- 233.98611858 159.7
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