CID 105488849

1-bromo-3-(1-fluoro-2-methylpropan-2-yl)benzene

Structural Information

Molecular Formula
C10H12BrF
SMILES
CC(C)(CF)C1=CC(=CC=C1)Br
InChI
InChI=1S/C10H12BrF/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-6H,7H2,1-2H3
InChIKey
RXZIWAQNXYKEIG-UHFFFAOYSA-N
Compound name
1-bromo-3-(1-fluoro-2-methylpropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

230.01064 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01792 144.1
[M+Na]+ 252.99986 155.8
[M-H]- 229.00336 149.4
[M+NH4]+ 248.04446 166.2
[M+K]+ 268.97380 144.6
[M+H-H2O]+ 213.00790 144.2
[M+HCOO]- 275.00884 163.3
[M+CH3COO]- 289.02449 188.8
[M+Na-2H]- 250.98531 151.8
[M]+ 230.01009 161.7
[M]- 230.01119 161.7
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