CID 47003548

2h-chromene-3-sulfonyl chloride

Structural Information

Molecular Formula
C9H7ClO3S
SMILES
C1C(=CC2=CC=CC=C2O1)S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClO3S/c10-14(11,12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2
InChIKey
XGCKSIZJWKXGMW-UHFFFAOYSA-N
Compound name
2H-chromene-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

229.98044 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98772 141.0
[M+Na]+ 252.96966 151.5
[M-H]- 228.97316 146.9
[M+NH4]+ 248.01426 160.4
[M+K]+ 268.94360 148.5
[M+H-H2O]+ 212.97770 136.9
[M+HCOO]- 274.97864 153.2
[M+CH3COO]- 288.99429 182.8
[M+Na-2H]- 250.95511 149.2
[M]+ 229.97989 146.0
[M]- 229.98099 146.0
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