CID 78661

2-methylamino-5-nitrobenzophenone

Structural Information

Molecular Formula
C14H12N2O3
SMILES
CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12N2O3/c1-15-13-8-7-11(16(18)19)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKey
KIWZKBUUWJTGPP-UHFFFAOYSA-N
Compound name
[2-(methylamino)-5-nitrophenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

256.08478 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 155.1
[M+Na]+ 279.07400 160.9
[M-H]- 255.07750 161.9
[M+NH4]+ 274.11860 170.3
[M+K]+ 295.04794 153.8
[M+H-H2O]+ 239.08204 151.7
[M+HCOO]- 301.08298 180.8
[M+CH3COO]- 315.09863 192.4
[M+Na-2H]- 277.05945 161.8
[M]+ 256.08423 153.1
[M]- 256.08533 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe