CID 136405

2-methylbenzoic anhydride

Structural Information

Molecular Formula
C16H14O3
SMILES
CC1=CC=CC=C1C(=O)OC(=O)C2=CC=CC=C2C
InChI
InChI=1S/C16H14O3/c1-11-7-3-5-9-13(11)15(17)19-16(18)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKey
YLBSXJWDERHYFY-UHFFFAOYSA-N
Compound name
(2-methylbenzoyl) 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

741
Patents

254.0943 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 157.0
[M+Na]+ 277.08352 171.4
[M+NH4]+ 272.12812 164.9
[M+K]+ 293.05746 164.6
[M-H]- 253.08702 160.9
[M+Na-2H]- 275.06897 165.6
[M]+ 254.09375 160.2
[M]- 254.09485 160.2
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

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