CID 3061927

2-(butylimino-(2-bromophenyl)methyl)-4-chlorophenol

Structural Information

Molecular Formula
C17H17BrClNO
SMILES
CCCCN=C(C1=CC=CC=C1Br)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C17H17BrClNO/c1-2-3-10-20-17(13-6-4-5-7-15(13)18)14-11-12(19)8-9-16(14)21/h4-9,11,21H,2-3,10H2,1H3
InChIKey
OAJNGLMFCYOFHO-UHFFFAOYSA-N
Compound name
2-[C-(2-bromophenyl)-N-butylcarbonimidoyl]-4-chlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0182 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.02548 176.3
[M+Na]+ 388.00742 187.2
[M-H]- 364.01092 185.1
[M+NH4]+ 383.05202 193.5
[M+K]+ 403.98136 172.6
[M+H-H2O]+ 348.01546 175.1
[M+HCOO]- 410.01640 193.0
[M+CH3COO]- 424.03205 212.7
[M+Na-2H]- 385.99287 180.1
[M]+ 365.01765 197.5
[M]- 365.01875 197.5
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.