CID 100570

71856-02-5

Structural Information

Molecular Formula
C26H25BrO3
SMILES
CC1(C(=C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCBr)C4=CC=CC=C4)C
InChI
InChI=1S/C26H25BrO3/c1-26(2)25(19-7-5-4-6-8-19)24(18-9-11-20(12-10-18)29-16-15-27)22-14-13-21(28-3)17-23(22)30-26/h4-14,17H,15-16H2,1-3H3
InChIKey
GKCABBVMJSEVMF-UHFFFAOYSA-N
Compound name
4-[4-(2-bromoethoxy)phenyl]-7-methoxy-2,2-dimethyl-3-phenylchromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.09872 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.10600 209.5
[M+Na]+ 487.08794 219.6
[M-H]- 463.09144 222.4
[M+NH4]+ 482.13254 223.2
[M+K]+ 503.06188 209.0
[M+H-H2O]+ 447.09598 205.8
[M+HCOO]- 509.09692 226.1
[M+CH3COO]- 523.11257 220.7
[M+Na-2H]- 485.07339 213.4
[M]+ 464.09817 232.1
[M]- 464.09927 232.1
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

No patent data available for this compound.