CID 5468147

(e)-3,4-dihydro-2-((4-hydroxyphenyl)methylene)-1(2h)-naphthalenone

Structural Information

Molecular Formula
C17H14O2
SMILES
C1C/C(=C\C2=CC=C(C=C2)O)/C(=O)C3=CC=CC=C31
InChI
InChI=1S/C17H14O2/c18-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)17(14)19/h1-6,9-11,18H,7-8H2/b14-11+
InChIKey
SRJMKMQJTLCMRQ-SDNWHVSQSA-N
Compound name
(2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

250.09938 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 155.3
[M+Na]+ 273.08860 162.9
[M-H]- 249.09210 161.5
[M+NH4]+ 268.13320 172.8
[M+K]+ 289.06254 157.1
[M+H-H2O]+ 233.09664 148.1
[M+HCOO]- 295.09758 174.9
[M+CH3COO]- 309.11323 167.2
[M+Na-2H]- 271.07405 160.4
[M]+ 250.09883 152.0
[M]- 250.09993 152.0
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