CID 64672174

1-(3-bromo-2-methylpropyl)-4-fluorobenzene

Structural Information

Molecular Formula
C10H12BrF
SMILES
CC(CC1=CC=C(C=C1)F)CBr
InChI
InChI=1S/C10H12BrF/c1-8(7-11)6-9-2-4-10(12)5-3-9/h2-5,8H,6-7H2,1H3
InChIKey
VZDGAQUMLZWCJJ-UHFFFAOYSA-N
Compound name
1-(3-bromo-2-methylpropyl)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.01064 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01792 144.0
[M+Na]+ 252.99986 154.9
[M-H]- 229.00336 148.9
[M+NH4]+ 248.04446 165.8
[M+K]+ 268.97380 143.7
[M+H-H2O]+ 213.00790 143.5
[M+HCOO]- 275.00884 163.7
[M+CH3COO]- 289.02449 189.3
[M+Na-2H]- 250.98531 150.0
[M]+ 230.01009 161.4
[M]- 230.01119 161.4
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.