CID 97046911

1-bromo-2,4,6-tricyclopentylbenzene

Structural Information

Molecular Formula
C21H29Br
SMILES
C1CCC(C1)C2=CC(=C(C(=C2)C3CCCC3)Br)C4CCCC4
InChI
InChI=1S/C21H29Br/c22-21-19(16-9-3-4-10-16)13-18(15-7-1-2-8-15)14-20(21)17-11-5-6-12-17/h13-17H,1-12H2
InChIKey
QRLTUCJNCQBOBR-UHFFFAOYSA-N
Compound name
2-bromo-1,3,5-tricyclopentylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.14526 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15254 194.9
[M+Na]+ 383.13448 200.9
[M-H]- 359.13798 208.6
[M+NH4]+ 378.17908 215.8
[M+K]+ 399.10842 189.3
[M+H-H2O]+ 343.14252 194.6
[M+HCOO]- 405.14346 211.3
[M+CH3COO]- 419.15911 206.1
[M+Na-2H]- 381.11993 188.1
[M]+ 360.14471 205.3
[M]- 360.14581 205.3
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

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