CID 1712649

1,4-dibromo-2,5-ditert-butylbenzene

Structural Information

Molecular Formula
C14H20Br2
SMILES
CC(C)(C)C1=CC(=C(C=C1Br)C(C)(C)C)Br
InChI
InChI=1S/C14H20Br2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3
InChIKey
QRONMIVHPIBNGK-UHFFFAOYSA-N
Compound name
1,4-dibromo-2,5-ditert-butylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

345.9932 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.00048 162.6
[M+Na]+ 368.98242 173.7
[M-H]- 344.98592 169.6
[M+NH4]+ 364.02702 181.1
[M+K]+ 384.95636 157.7
[M+H-H2O]+ 328.99046 170.9
[M+HCOO]- 390.99140 175.2
[M+CH3COO]- 405.00705 213.6
[M+Na-2H]- 366.96787 167.7
[M]+ 345.99265 197.4
[M]- 345.99375 197.4
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