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
2
Annotation Hits

0
References

262
Patents

326.1882 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.19548 181.0
[M+Na]+ 349.17742 185.4
[M-H]- 325.18092 185.5
[M+NH4]+ 344.22202 194.0
[M+K]+ 365.15136 181.2
[M+H-H2O]+ 309.18546 172.6
[M+HCOO]- 371.18640 200.2
[M+CH3COO]- 385.20205 209.6
[M+Na-2H]- 347.16287 180.9
[M]+ 326.18765 183.7
[M]- 326.18875 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