CID 208140

Jpb 14

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)O
InChI
InChI=1S/C13H11NO2/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,15H,14H2
InChIKey
GTIBQOVZWUVLOF-UHFFFAOYSA-N
Compound name
(4-amino-3-hydroxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

213.07898 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08626 145.5
[M+Na]+ 236.06820 153.1
[M-H]- 212.07170 151.0
[M+NH4]+ 231.11280 162.9
[M+K]+ 252.04214 149.2
[M+H-H2O]+ 196.07624 138.7
[M+HCOO]- 258.07718 168.8
[M+CH3COO]- 272.09283 187.2
[M+Na-2H]- 234.05365 150.4
[M]+ 213.07843 143.1
[M]- 213.07953 143.1
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

patents stripe