CID 3078874

Brn 5948117

Structural Information

Molecular Formula
C14H12ClNO2
SMILES
CNC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C14H12ClNO2/c1-16-12-7-4-10(8-13(12)17)14(18)9-2-5-11(15)6-3-9/h2-8,16-17H,1H3
InChIKey
NCWHJCRHMVXAIN-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[3-hydroxy-4-(methylamino)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.05566 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.062936 155.8
[M+Na]+ 284.044878 164.6
[M-H]- 260.048384 161.7
[M+NH4]+ 279.089483 172.6
[M+K]+ 300.018818 159.1
[M+H-H2O]+ 244.052920 149.7
[M+HCOO]- 306.053861 174.8
[M+CH3COO]- 320.069511 195.7
[M+Na-2H]- 282.030326 159.9
[M]+ 261.05511142 157.3
[M]- 261.05620858 157.3
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.