CID 329105

4-chloroisatoic anhydride

Structural Information

Molecular Formula
C8H4ClNO3
SMILES
C1=CC2=C(C=C1Cl)NC(=O)OC2=O
InChI
InChI=1S/C8H4ClNO3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,(H,10,12)
InChIKey
QRUPDIJQZCABTC-UHFFFAOYSA-N
Compound name
7-chloro-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

273
Patents

196.98798 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.99526 131.6
[M+Na]+ 219.97720 144.6
[M-H]- 195.98070 135.3
[M+NH4]+ 215.02180 150.2
[M+K]+ 235.95114 140.8
[M+H-H2O]+ 179.98524 126.4
[M+HCOO]- 241.98618 149.1
[M+CH3COO]- 256.00183 177.8
[M+Na-2H]- 217.96265 141.4
[M]+ 196.98743 135.4
[M]- 196.98853 135.4
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