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

24
Patents

199.00362 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01090 138.4
[M+Na]+ 221.99284 147.4
[M-H]- 197.99634 143.7
[M+NH4]+ 217.03744 159.2
[M+K]+ 237.96678 141.3
[M+H-H2O]+ 182.00088 138.9
[M+HCOO]- 244.00182 158.1
[M+CH3COO]- 258.01747 175.6
[M+Na-2H]- 219.97829 146.7
[M]+ 199.00307 139.6
[M]- 199.00417 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