CID 10039346

119999-22-3

Structural Information

Molecular Formula
C15H21Br
SMILES
CC1=CC2=C(C=C1Br)C(CCC2(C)C)(C)C
InChI
InChI=1S/C15H21Br/c1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h8-9H,6-7H2,1-5H3
InChIKey
ONNHBALCPUEXBT-UHFFFAOYSA-N
Compound name
6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

280.08267 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08995 154.5
[M+Na]+ 303.07189 167.3
[M-H]- 279.07539 162.3
[M+NH4]+ 298.11649 180.0
[M+K]+ 319.04583 155.7
[M+H-H2O]+ 263.07993 156.2
[M+HCOO]- 325.08087 171.9
[M+CH3COO]- 339.09652 200.6
[M+Na-2H]- 301.05734 161.2
[M]+ 280.08212 173.5
[M]- 280.08322 173.5
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