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]+ 262.06294 155.8
[M+Na]+ 284.04488 164.6
[M-H]- 260.04838 161.7
[M+NH4]+ 279.08948 172.6
[M+K]+ 300.01882 159.1
[M+H-H2O]+ 244.05292 149.7
[M+HCOO]- 306.05386 174.8
[M+CH3COO]- 320.06951 195.7
[M+Na-2H]- 282.03033 159.9
[M]+ 261.05511 157.3
[M]- 261.05621 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.