CID 84710266

1565390-34-2

Structural Information

Molecular Formula
C11H13ClO3S
SMILES
CC1(CCC2=C(O1)C(=CC=C2)S(=O)(=O)Cl)C
InChI
InChI=1S/C11H13ClO3S/c1-11(2)7-6-8-4-3-5-9(10(8)15-11)16(12,13)14/h3-5H,6-7H2,1-2H3
InChIKey
WOYJTDZEJDPCGR-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0274 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03468 149.7
[M+Na]+ 283.01662 159.9
[M-H]- 259.02012 155.5
[M+NH4]+ 278.06122 170.1
[M+K]+ 298.99056 157.0
[M+H-H2O]+ 243.02466 146.2
[M+HCOO]- 305.02560 159.7
[M+CH3COO]- 319.04125 189.8
[M+Na-2H]- 281.00207 156.9
[M]+ 260.02685 154.8
[M]- 260.02795 154.8
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

No patent data available for this compound.