CID 70571

2-[nitroso(phenylmethyl)amino]benzoic acid

Structural Information

Molecular Formula
C14H12N2O3
SMILES
C1=CC=C(C=C1)CN(C2=CC=CC=C2C(=O)O)N=O
InChI
InChI=1S/C14H12N2O3/c17-14(18)12-8-4-5-9-13(12)16(15-19)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
InChIKey
VXZOBNZOEBYBFR-UHFFFAOYSA-N
Compound name
2-[benzyl(nitroso)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.08478 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.092056 155.1
[M+Na]+ 279.073998 161.0
[M-H]- 255.077504 163.2
[M+NH4]+ 274.118603 171.3
[M+K]+ 295.047938 159.5
[M+H-H2O]+ 239.082040 146.5
[M+HCOO]- 301.082981 182.0
[M+CH3COO]- 315.098631 201.9
[M+Na-2H]- 277.059446 161.3
[M]+ 256.08423142 156.6
[M]- 256.08532858 156.6
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