CID 383396

Alpha-(3-nitrophenylimino)-p-cresol

Structural Information

Molecular Formula
C13H10N2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])N=CC2=CC=C(C=C2)O
InChI
InChI=1S/C13H10N2O3/c16-13-6-4-10(5-7-13)9-14-11-2-1-3-12(8-11)15(17)18/h1-9,16H
InChIKey
OXFQFCDTVMAGCJ-UHFFFAOYSA-N
Compound name
4-[(3-nitrophenyl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.06914 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.076416 150.7
[M+Na]+ 265.058358 157.3
[M-H]- 241.061864 157.7
[M+NH4]+ 260.102963 166.7
[M+K]+ 281.032298 149.9
[M+H-H2O]+ 225.066400 147.5
[M+HCOO]- 287.067341 177.8
[M+CH3COO]- 301.082991 187.9
[M+Na-2H]- 263.043806 159.2
[M]+ 242.06859142 148.9
[M]- 242.06968858 148.9
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

No patent data available for this compound.