CID 12250805

1,2-dibromo-4-tert-butylbenzene

Structural Information

Molecular Formula
C10H12Br2
SMILES
CC(C)(C)C1=CC(=C(C=C1)Br)Br
InChI
InChI=1S/C10H12Br2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6H,1-3H3
InChIKey
LZOUMICSOKCMJT-UHFFFAOYSA-N
Compound name
1,2-dibromo-4-tert-butylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

289.93057 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.937846 144.8
[M+Na]+ 312.919788 156.3
[M-H]- 288.923294 151.9
[M+NH4]+ 307.964393 164.8
[M+K]+ 328.893728 140.8
[M+H-H2O]+ 272.927830 153.5
[M+HCOO]- 334.928771 159.9
[M+CH3COO]- 348.944421 203.8
[M+Na-2H]- 310.905236 152.0
[M]+ 289.93002142 179.0
[M]- 289.93111858 179.0
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