CID 18526153

7-nitro-2,3-dihydro-1-benzofuran-5-sulfonoyl chloride

Structural Information

Molecular Formula
C8H6ClNO5S
SMILES
C1COC2=C1C=C(C=C2[N+](=O)[O-])S(=O)(=O)Cl
InChI
InChI=1S/C8H6ClNO5S/c9-16(13,14)6-3-5-1-2-15-8(5)7(4-6)10(11)12/h3-4H,1-2H2
InChIKey
KFYKLVMQGONPLM-UHFFFAOYSA-N
Compound name
7-nitro-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

262.9655 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.97278 150.8
[M+Na]+ 285.95472 160.0
[M-H]- 261.95822 156.8
[M+NH4]+ 280.99932 169.5
[M+K]+ 301.92866 153.7
[M+H-H2O]+ 245.96276 152.0
[M+HCOO]- 307.96370 164.7
[M+CH3COO]- 321.97935 182.1
[M+Na-2H]- 283.94017 158.6
[M]+ 262.96495 154.7
[M]- 262.96605 154.7
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