CID 428982

17696-48-9

Structural Information

Molecular Formula
C14H12BrNO2
SMILES
COC1=CC=CC(=C1O)C=NC2=CC=C(C=C2)Br
InChI
InChI=1S/C14H12BrNO2/c1-18-13-4-2-3-10(14(13)17)9-16-12-7-5-11(15)6-8-12/h2-9,17H,1H3
InChIKey
IKETWNOKIWCWJQ-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)iminomethyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.00513 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.01241 159.1
[M+Na]+ 327.99435 170.4
[M-H]- 303.99785 168.6
[M+NH4]+ 323.03895 177.7
[M+K]+ 343.96829 158.5
[M+H-H2O]+ 288.00239 157.5
[M+HCOO]- 350.00333 182.3
[M+CH3COO]- 364.01898 202.1
[M+Na-2H]- 325.97980 166.1
[M]+ 305.00458 179.1
[M]- 305.00568 179.1
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.