CID 4571853

2,3-dimethyl-9(10h)-anthracenone

Structural Information

Molecular Formula
C16H14O
SMILES
CC1=CC2=C(C=C1C)C(=O)C3=CC=CC=C3C2
InChI
InChI=1S/C16H14O/c1-10-7-13-9-12-5-3-4-6-14(12)16(17)15(13)8-11(10)2/h3-8H,9H2,1-2H3
InChIKey
FYUFQYJYIHJBDD-UHFFFAOYSA-N
Compound name
2,3-dimethyl-10H-anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

222.10446 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11174 147.1
[M+Na]+ 245.09368 157.3
[M-H]- 221.09718 153.2
[M+NH4]+ 240.13828 168.3
[M+K]+ 261.06762 152.4
[M+H-H2O]+ 205.10172 140.7
[M+HCOO]- 267.10266 168.0
[M+CH3COO]- 281.11831 160.8
[M+Na-2H]- 243.07913 154.2
[M]+ 222.10391 147.7
[M]- 222.10501 147.7
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