CID 21073393

4-bromo-2,3-dihydro-1h-inden-2-one

Structural Information

Molecular Formula
C9H7BrO
SMILES
C1C(=O)CC2=C1C=CC=C2Br
InChI
InChI=1S/C9H7BrO/c10-9-3-1-2-6-4-7(11)5-8(6)9/h1-3H,4-5H2
InChIKey
SWTMVUZONAQICS-UHFFFAOYSA-N
Compound name
4-bromo-1,3-dihydroinden-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

209.96803 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.975306 138.1
[M+Na]+ 232.957248 151.2
[M-H]- 208.960754 145.7
[M+NH4]+ 228.001853 163.6
[M+K]+ 248.931188 140.3
[M+H-H2O]+ 192.965290 139.4
[M+HCOO]- 254.966231 159.8
[M+CH3COO]- 268.981881 183.0
[M+Na-2H]- 230.942696 145.4
[M]+ 209.96748142 156.2
[M]- 209.96857858 156.2
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