CID 70998

Trimellitic anhydride chloride

Structural Information

Molecular Formula
C9H3ClO4
SMILES
C1=CC2=C(C=C1C(=O)Cl)C(=O)OC2=O
InChI
InChI=1S/C9H3ClO4/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H
InChIKey
NJMOHBDCGXJLNJ-UHFFFAOYSA-N
Compound name
1,3-dioxo-2-benzofuran-5-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

8974
Patents

209.97198 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.97926 136.2
[M+Na]+ 232.96120 148.0
[M-H]- 208.96470 142.4
[M+NH4]+ 228.00580 157.8
[M+K]+ 248.93514 145.5
[M+H-H2O]+ 192.96924 132.6
[M+HCOO]- 254.97018 154.9
[M+CH3COO]- 268.98583 182.9
[M+Na-2H]- 230.94665 141.6
[M]+ 209.97143 141.1
[M]- 209.97253 141.1
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

No patent data available for this compound.