CID 83854728

1-(bromomethyl)-2-(2-fluoropropan-2-yl)benzene

Structural Information

Molecular Formula
C10H12BrF
SMILES
CC(C)(C1=CC=CC=C1CBr)F
InChI
InChI=1S/C10H12BrF/c1-10(2,12)9-6-4-3-5-8(9)7-11/h3-6H,7H2,1-2H3
InChIKey
JRCBAYUVVKOSBJ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-(2-fluoropropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.01064 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.017916 144.1
[M+Na]+ 252.999858 155.8
[M-H]- 229.003364 149.4
[M+NH4]+ 248.044463 166.2
[M+K]+ 268.973798 144.6
[M+H-H2O]+ 213.007900 144.2
[M+HCOO]- 275.008841 163.3
[M+CH3COO]- 289.024491 188.8
[M+Na-2H]- 250.985306 151.8
[M]+ 230.01009142 161.7
[M]- 230.01118858 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

No patent data available for this compound.