CID 90076640

1562418-91-0

Structural Information

Molecular Formula
C10H9BrO
SMILES
C1CC2C3=C(C1O2)C=CC(=C3)Br
InChI
InChI=1S/C10H9BrO/c11-6-1-2-7-8(5-6)10-4-3-9(7)12-10/h1-2,5,9-10H,3-4H2
InChIKey
NDPRZZHSPKHJJP-UHFFFAOYSA-N
Compound name
4-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

223.98367 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99095 146.7
[M+Na]+ 246.97289 159.7
[M-H]- 222.97639 154.4
[M+NH4]+ 242.01749 173.6
[M+K]+ 262.94683 150.3
[M+H-H2O]+ 206.98093 149.1
[M+HCOO]- 268.98187 166.1
[M+CH3COO]- 282.99752 162.7
[M+Na-2H]- 244.95834 153.8
[M]+ 223.98312 166.2
[M]- 223.98422 166.2
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