CID 11521571

1-(1-bromoethyl)-4-tert-butylbenzene

Structural Information

Molecular Formula
C12H17Br
SMILES
CC(C1=CC=C(C=C1)C(C)(C)C)Br
InChI
InChI=1S/C12H17Br/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9H,1-4H3
InChIKey
UCYDYXJGZGNKDF-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-4-tert-butylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

240.05136 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05864 149.5
[M+Na]+ 263.04058 160.1
[M-H]- 239.04408 155.8
[M+NH4]+ 258.08518 171.2
[M+K]+ 279.01452 149.3
[M+H-H2O]+ 223.04862 150.2
[M+HCOO]- 285.04956 168.1
[M+CH3COO]- 299.06521 192.1
[M+Na-2H]- 261.02603 155.7
[M]+ 240.05081 168.2
[M]- 240.05191 168.2
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