CID 118393

2-hydroxy-4-(isooctoxy)benzophenone

Structural Information

Molecular Formula
C21H26O3
SMILES
CC(C)CCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C21H26O3/c1-16(2)9-5-4-8-14-24-18-12-13-19(20(22)15-18)21(23)17-10-6-3-7-11-17/h3,6-7,10-13,15-16,22H,4-5,8-9,14H2,1-2H3
InChIKey
HLVLKTYUBIGFFB-UHFFFAOYSA-N
Compound name
[2-hydroxy-4-(6-methylheptoxy)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

293
Patents

326.1882 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.195476 181.0
[M+Na]+ 349.177418 185.4
[M-H]- 325.180924 185.5
[M+NH4]+ 344.222023 194.0
[M+K]+ 365.151358 181.2
[M+H-H2O]+ 309.185460 172.6
[M+HCOO]- 371.186401 200.2
[M+CH3COO]- 385.202051 209.6
[M+Na-2H]- 347.162866 180.9
[M]+ 326.18765142 183.7
[M]- 326.18874858 183.7
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