CID 4598783

4-bromo-2-{[(3,4-dichlorophenyl)amino]methyl}-6-methoxyphenol

Structural Information

Molecular Formula
C14H12BrCl2NO2
SMILES
COC1=CC(=CC(=C1O)CNC2=CC(=C(C=C2)Cl)Cl)Br
InChI
InChI=1S/C14H12BrCl2NO2/c1-20-13-5-9(15)4-8(14(13)19)7-18-10-2-3-11(16)12(17)6-10/h2-6,18-19H,7H2,1H3
InChIKey
QKWZVPMTCZTGBJ-UHFFFAOYSA-N
Compound name
4-bromo-2-[(3,4-dichloroanilino)methyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.94284 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.95012 170.1
[M+Na]+ 397.93206 183.7
[M-H]- 373.93556 177.9
[M+NH4]+ 392.97666 187.2
[M+K]+ 413.90600 168.6
[M+H-H2O]+ 357.94010 170.3
[M+HCOO]- 419.94104 182.4
[M+CH3COO]- 433.95669 210.8
[M+Na-2H]- 395.91751 174.3
[M]+ 374.94229 192.7
[M]- 374.94339 192.7
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

No patent data available for this compound.