CID 34034

Brn 4915340

Structural Information

Molecular Formula
C11H11Cl2NO2
SMILES
CC1=NCC(COC2=C1C=C(C=C2Cl)Cl)O
InChI
InChI=1S/C11H11Cl2NO2/c1-6-9-2-7(12)3-10(13)11(9)16-5-8(15)4-14-6/h2-3,8,15H,4-5H2,1H3
InChIKey
XBRAPXXJRUXVOX-UHFFFAOYSA-N
Compound name
8,10-dichloro-6-methyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0167 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.02398 160.0
[M+Na]+ 282.00592 166.5
[M-H]- 258.00942 161.2
[M+NH4]+ 277.05052 167.5
[M+K]+ 297.97986 165.3
[M+H-H2O]+ 242.01396 156.6
[M+HCOO]- 304.01490 163.8
[M+CH3COO]- 318.03055 164.5
[M+Na-2H]- 279.99137 159.8
[M]+ 259.01615 161.2
[M]- 259.01725 161.2
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.