CID 135520

3,4-diaminobenzophenone

Structural Information

Molecular Formula
C13H12N2O
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)N
InChI
InChI=1S/C13H12N2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H,14-15H2
InChIKey
RXCOGDYOZQGGMK-UHFFFAOYSA-N
Compound name
(3,4-diaminophenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1997
Patents

212.09496 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 146.5
[M+Na]+ 235.08418 153.7
[M-H]- 211.08768 152.7
[M+NH4]+ 230.12878 164.0
[M+K]+ 251.05812 149.7
[M+H-H2O]+ 195.09222 139.2
[M+HCOO]- 257.09316 171.4
[M+CH3COO]- 271.10881 192.0
[M+Na-2H]- 233.06963 151.1
[M]+ 212.09441 142.7
[M]- 212.09551 142.7
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