CID 14518359

(4-amino-3-nitrophenyl)(phenyl)methanol

Structural Information

Molecular Formula
C13H12N2O3
SMILES
C1=CC=C(C=C1)C(C2=CC(=C(C=C2)N)[N+](=O)[O-])O
InChI
InChI=1S/C13H12N2O3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8,13,16H,14H2
InChIKey
GBDIHFMPEGTCBK-UHFFFAOYSA-N
Compound name
(4-amino-3-nitrophenyl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

244.0848 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 151.3
[M+Na]+ 267.07402 156.9
[M-H]- 243.07752 156.4
[M+NH4]+ 262.11862 166.2
[M+K]+ 283.04796 149.4
[M+H-H2O]+ 227.08206 148.5
[M+HCOO]- 289.08300 175.2
[M+CH3COO]- 303.09865 187.0
[M+Na-2H]- 265.05947 157.2
[M]+ 244.08425 146.9
[M]- 244.08535 146.9
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