CID 10856814

6-bromochroman

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1CC2=C(C=CC(=C2)Br)OC1
InChI
InChI=1S/C9H9BrO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2
InChIKey
KPFDABVKWKOIME-UHFFFAOYSA-N
Compound name
6-bromo-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

211.98367 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 134.0
[M+Na]+ 234.97289 138.7
[M+NH4]+ 230.01749 140.8
[M+K]+ 250.94683 137.9
[M-H]- 210.97639 137.2
[M+Na-2H]- 232.95834 138.2
[M]+ 211.98312 134.6
[M]- 211.98422 134.6
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