CID 513918

3,6-difluorophthalic anhydride

Structural Information

Molecular Formula
C8H2F2O3
SMILES
C1=CC(=C2C(=C1F)C(=O)OC2=O)F
InChI
InChI=1S/C8H2F2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2H
InChIKey
AVLRPSLTCCWJKC-UHFFFAOYSA-N
Compound name
4,7-difluoro-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

657
Patents

183.99721 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.004486 127.2
[M+Na]+ 206.986428 139.8
[M-H]- 182.989934 131.2
[M+NH4]+ 202.031033 149.4
[M+K]+ 222.960368 138.1
[M+H-H2O]+ 166.994470 121.4
[M+HCOO]- 228.995411 149.4
[M+CH3COO]- 243.011061 180.5
[M+Na-2H]- 204.971876 133.0
[M]+ 183.99666142 127.8
[M]- 183.99775858 127.8
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