CID 367715

3-(2-methylphenyl)phthalide

Structural Information

Molecular Formula
C15H12O2
SMILES
CC1=CC=CC=C1C2C3=CC=CC=C3C(=O)O2
InChI
InChI=1S/C15H12O2/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13(12)15(16)17-14/h2-9,14H,1H3
InChIKey
IPWGBWXYYLCOLW-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

224.08372 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09100 147.1
[M+Na]+ 247.07294 157.0
[M-H]- 223.07644 156.2
[M+NH4]+ 242.11754 167.3
[M+K]+ 263.04688 153.9
[M+H-H2O]+ 207.08098 141.0
[M+HCOO]- 269.08192 170.2
[M+CH3COO]- 283.09757 161.5
[M+Na-2H]- 245.05839 152.8
[M]+ 224.08317 148.7
[M]- 224.08427 148.7
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