CID 18445401

141653-49-8

Structural Information

Molecular Formula
C10H11ClO3S
SMILES
CC1(COC2=C1C=C(C=C2)S(=O)(=O)Cl)C
InChI
InChI=1S/C10H11ClO3S/c1-10(2)6-14-9-4-3-7(5-8(9)10)15(11,12)13/h3-5H,6H2,1-2H3
InChIKey
YHAMGSLQVPEDTQ-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

246.01175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.019026 148.0
[M+Na]+ 269.000968 159.8
[M-H]- 245.004474 154.4
[M+NH4]+ 264.045573 171.0
[M+K]+ 284.974908 156.9
[M+H-H2O]+ 229.009010 145.6
[M+HCOO]- 291.009951 160.5
[M+CH3COO]- 305.025601 186.4
[M+Na-2H]- 266.986416 154.1
[M]+ 246.01120142 154.9
[M]- 246.01229858 154.9
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