CID 794593

Alpha-(5-nitro-o-tolylimino)-o-cresol

Structural Information

Molecular Formula
C14H12N2O3
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])N=CC2=CC=CC=C2O
InChI
InChI=1S/C14H12N2O3/c1-10-6-7-12(16(18)19)8-13(10)15-9-11-4-2-3-5-14(11)17/h2-9,17H,1H3
InChIKey
JYUYXVCTSZXVHJ-UHFFFAOYSA-N
Compound name
2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08478 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.092056 155.4
[M+Na]+ 279.073998 162.5
[M-H]- 255.077504 162.6
[M+NH4]+ 274.118603 171.2
[M+K]+ 295.047938 154.9
[M+H-H2O]+ 239.082040 152.2
[M+HCOO]- 301.082981 182.2
[M+CH3COO]- 315.098631 192.1
[M+Na-2H]- 277.059446 162.7
[M]+ 256.08423142 154.4
[M]- 256.08532858 154.4
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.