CID 10798626

182949-89-9

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1COCC2=C1C(=CC=C2)Br
InChI
InChI=1S/C9H9BrO/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3H,4-6H2
InChIKey
HDHXNQYPFLNOOP-UHFFFAOYSA-N
Compound name
5-bromo-3,4-dihydro-1H-isochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

211.98367 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 137.3
[M+Na]+ 234.97289 148.0
[M-H]- 210.97639 144.8
[M+NH4]+ 230.01749 159.4
[M+K]+ 250.94683 138.9
[M+H-H2O]+ 194.98093 138.0
[M+HCOO]- 256.98187 155.9
[M+CH3COO]- 270.99752 152.7
[M+Na-2H]- 232.95834 147.5
[M]+ 211.98312 154.2
[M]- 211.98422 154.2
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