CID 21339433

4-(1-propynyl)phthalic anhydride

Structural Information

Molecular Formula
C11H6O3
SMILES
CC#CC1=CC2=C(C=C1)C(=O)OC2=O
InChI
InChI=1S/C11H6O3/c1-2-3-7-4-5-8-9(6-7)11(13)14-10(8)12/h4-6H,1H3
InChIKey
LBTIDDCTPLEEAG-UHFFFAOYSA-N
Compound name
5-prop-1-ynyl-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

104
Patents

186.0317 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.038976 137.0
[M+Na]+ 209.020918 150.4
[M-H]- 185.024424 141.0
[M+NH4]+ 204.065523 156.5
[M+K]+ 224.994858 145.5
[M+H-H2O]+ 169.028960 126.2
[M+HCOO]- 231.029901 154.6
[M+CH3COO]- 245.045551 188.8
[M+Na-2H]- 207.006366 141.9
[M]+ 186.03115142 134.1
[M]- 186.03224858 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe