CID 570680

1-(2-bromoethyl)-4-methylbenzene

Structural Information

Molecular Formula
C9H11Br
SMILES
CC1=CC=C(C=C1)CCBr
InChI
InChI=1S/C9H11Br/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7H2,1H3
InChIKey
IAZCKSJRRRXZEY-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

518
Patents

198.00441 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01169 133.9
[M+Na]+ 220.99363 138.7
[M+NH4]+ 216.03823 140.2
[M+K]+ 236.96757 137.1
[M-H]- 196.99713 135.7
[M+Na-2H]- 218.97908 139.1
[M]+ 198.00386 134.1
[M]- 198.00496 134.1
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