CID 66470456

5-(bromomethyl)-6,7,8,9-tetrahydro-5h-benzo[7]annulene

Structural Information

Molecular Formula
C12H15Br
SMILES
C1CCC2=CC=CC=C2C(C1)CBr
InChI
InChI=1S/C12H15Br/c13-9-11-7-2-1-5-10-6-3-4-8-12(10)11/h3-4,6,8,11H,1-2,5,7,9H2
InChIKey
SKYFBQBTOJFAAH-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0357 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.042976 144.1
[M+Na]+ 261.024918 152.1
[M-H]- 237.028424 151.4
[M+NH4]+ 256.069523 165.1
[M+K]+ 276.998858 144.9
[M+H-H2O]+ 221.032960 145.8
[M+HCOO]- 283.033901 161.9
[M+CH3COO]- 297.049551 157.8
[M+Na-2H]- 259.010366 151.5
[M]+ 238.03515142 156.3
[M]- 238.03624858 156.3
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

No patent data available for this compound.