CID 17768330

42367-12-4

Structural Information

Molecular Formula
C12H15Br
SMILES
C1CC(CCC1C2=CC=CC=C2)Br
InChI
InChI=1S/C12H15Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKey
NDRGPZJGGPICOX-UHFFFAOYSA-N
Compound name
(4-bromocyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

238.0357 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04298 148.1
[M+Na]+ 261.02492 156.6
[M-H]- 237.02842 156.4
[M+NH4]+ 256.06952 169.1
[M+K]+ 276.99886 145.5
[M+H-H2O]+ 221.03296 148.0
[M+HCOO]- 283.03390 166.5
[M+CH3COO]- 297.04955 188.4
[M+Na-2H]- 259.01037 154.3
[M]+ 238.03515 161.6
[M]- 238.03625 161.6
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