CID 390329

244613-09-0

Structural Information

Molecular Formula
C17H13BrO
SMILES
C1CC(=CC2=CC(=CC=C2)Br)C(=O)C3=CC=CC=C31
InChI
InChI=1S/C17H13BrO/c18-15-6-3-4-12(11-15)10-14-9-8-13-5-1-2-7-16(13)17(14)19/h1-7,10-11H,8-9H2
InChIKey
RXQZJBJGVUPGNK-UHFFFAOYSA-N
Compound name
2-[(3-bromophenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

312.01498 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.02226 164.9
[M+Na]+ 335.00420 175.5
[M-H]- 311.00770 174.5
[M+NH4]+ 330.04880 184.2
[M+K]+ 350.97814 162.5
[M+H-H2O]+ 295.01224 164.1
[M+HCOO]- 357.01318 183.3
[M+CH3COO]- 371.02883 178.4
[M+Na-2H]- 332.98965 170.9
[M]+ 312.01443 180.7
[M]- 312.01553 180.7
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