CID 18997244

5-chloro-7-nitro-2,3-dihydro-1-benzofuran

Structural Information

Molecular Formula
C8H6ClNO3
SMILES
C1COC2=C1C=C(C=C2[N+](=O)[O-])Cl
InChI
InChI=1S/C8H6ClNO3/c9-6-3-5-1-2-13-8(5)7(4-6)10(11)12/h3-4H,1-2H2
InChIKey
DUNYELSULQJEHT-UHFFFAOYSA-N
Compound name
5-chloro-7-nitro-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

199.00362 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.010896 138.4
[M+Na]+ 221.992838 147.4
[M-H]- 197.996344 143.7
[M+NH4]+ 217.037443 159.2
[M+K]+ 237.966778 141.3
[M+H-H2O]+ 182.000880 138.9
[M+HCOO]- 244.001821 158.1
[M+CH3COO]- 258.017471 175.6
[M+Na-2H]- 219.978286 146.7
[M]+ 199.00307142 139.6
[M]- 199.00416858 139.6
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