CID 118139238

2-bromo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-amine hydrochloride

Structural Information

Molecular Formula
C11H14BrN
SMILES
C1CCC2=C(C=CC(=C2)Br)C(C1)N
InChI
InChI=1S/C11H14BrN/c12-9-5-6-10-8(7-9)3-1-2-4-11(10)13/h5-7,11H,1-4,13H2
InChIKey
AFDXZIWLADRNIM-UHFFFAOYSA-N
Compound name
2-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

239.03096 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03824 143.9
[M+Na]+ 262.02018 152.1
[M-H]- 238.02368 151.1
[M+NH4]+ 257.06478 164.4
[M+K]+ 277.99412 144.9
[M+H-H2O]+ 222.02822 144.7
[M+HCOO]- 284.02916 162.1
[M+CH3COO]- 298.04481 157.4
[M+Na-2H]- 260.00563 150.4
[M]+ 239.03041 154.5
[M]- 239.03151 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe