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]+ 239.04298 144.1
[M+Na]+ 261.02492 152.1
[M-H]- 237.02842 151.4
[M+NH4]+ 256.06952 165.1
[M+K]+ 276.99886 144.9
[M+H-H2O]+ 221.03296 145.8
[M+HCOO]- 283.03390 161.9
[M+CH3COO]- 297.04955 157.8
[M+Na-2H]- 259.01037 151.5
[M]+ 238.03515 156.3
[M]- 238.03625 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.