CID 66664

2-bromo-1,3,5-triethylbenzene

Structural Information

Molecular Formula
C12H17Br
SMILES
CCC1=CC(=C(C(=C1)CC)Br)CC
InChI
InChI=1S/C12H17Br/c1-4-9-7-10(5-2)12(13)11(6-3)8-9/h7-8H,4-6H2,1-3H3
InChIKey
GYPGUOPEQLYKQZ-UHFFFAOYSA-N
Compound name
2-bromo-1,3,5-triethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

240.05136 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05864 146.8
[M+Na]+ 263.04058 158.9
[M-H]- 239.04408 153.4
[M+NH4]+ 258.08518 169.0
[M+K]+ 279.01452 147.4
[M+H-H2O]+ 223.04862 147.2
[M+HCOO]- 285.04956 167.8
[M+CH3COO]- 299.06521 193.7
[M+Na-2H]- 261.02603 152.4
[M]+ 240.05081 167.3
[M]- 240.05191 167.3
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