CID 3078873

Brn 5944661

Structural Information

Molecular Formula
C13H10ClNO2
SMILES
C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)N)O)Cl
InChI
InChI=1S/C13H10ClNO2/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9/h1-7,16H,15H2
InChIKey
BMOVNFRJTYCMBI-UHFFFAOYSA-N
Compound name
(4-amino-3-hydroxyphenyl)-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.04001 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.04729 151.8
[M+Na]+ 270.02923 161.2
[M-H]- 246.03273 157.4
[M+NH4]+ 265.07383 169.0
[M+K]+ 286.00317 155.5
[M+H-H2O]+ 230.03727 146.0
[M+HCOO]- 292.03821 170.6
[M+CH3COO]- 306.05386 192.2
[M+Na-2H]- 268.01468 155.5
[M]+ 247.03946 152.0
[M]- 247.04056 152.0
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.