CID 13682011

1-(1-bromoethyl)-2-methylbenzene

Structural Information

Molecular Formula
C9H11Br
SMILES
CC1=CC=CC=C1C(C)Br
InChI
InChI=1S/C9H11Br/c1-7-5-3-4-6-9(7)8(2)10/h3-6,8H,1-2H3
InChIKey
LKNZNIHNBFZDQM-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

198.00441 Da
Monoisotopic Mass

3.2
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

No literature data available for this compound.

Patent stripe

patents stripe