CID 69511

3-methylbenzophenone

Structural Information

Molecular Formula
C14H12O
SMILES
CC1=CC(=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
URBLVRAVOIVZFJ-UHFFFAOYSA-N
Compound name
(3-methylphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6566
Patents

196.08882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09610 141.5
[M+Na]+ 219.07804 149.2
[M-H]- 195.08154 148.5
[M+NH4]+ 214.12264 160.7
[M+K]+ 235.05198 145.7
[M+H-H2O]+ 179.08608 134.7
[M+HCOO]- 241.08702 165.4
[M+CH3COO]- 255.10267 185.2
[M+Na-2H]- 217.06349 147.8
[M]+ 196.08827 141.1
[M]- 196.08937 141.1
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