CID 122163791

1-bromo-4-(1,1-difluoropropan-2-yl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.98557 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99285 143.7
[M+Na]+ 256.97479 154.8
[M-H]- 232.97829 147.6
[M+NH4]+ 252.01939 165.2
[M+K]+ 272.94873 143.8
[M+H-H2O]+ 216.98283 142.5
[M+HCOO]- 278.98377 161.8
[M+CH3COO]- 292.99942 189.8
[M+Na-2H]- 254.96024 148.3
[M]+ 233.98502 159.1
[M]- 233.98612 159.1
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

No patent data available for this compound.