CID 11462

1-bromo-4-isopropylbenzene

Structural Information

Molecular Formula
C9H11Br
SMILES
CC(C)C1=CC=C(C=C1)Br
InChI
InChI=1S/C9H11Br/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
InChIKey
MOZHUOIQYVYEPN-UHFFFAOYSA-N
Compound name
1-bromo-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1681
Patents

198.00441 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01169 132.7
[M+Na]+ 220.99363 137.2
[M+NH4]+ 216.03823 138.9
[M+K]+ 236.96757 136.4
[M-H]- 196.99713 134.4
[M+Na-2H]- 218.97908 137.7
[M]+ 198.00386 132.8
[M]- 198.00496 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe