CID 52983686

1082399-00-5

Structural Information

Molecular Formula
C11H10ClNO3S
SMILES
CC1=C(N=C(O1)C)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H10ClNO3S/c1-7-11(13-8(2)16-7)9-3-5-10(6-4-9)17(12,14)15/h3-6H,1-2H3
InChIKey
DJUCKCOHCPVGJA-UHFFFAOYSA-N
Compound name
4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.007 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.014276 155.9
[M+Na]+ 293.996218 168.4
[M-H]- 269.999724 163.8
[M+NH4]+ 289.040823 173.5
[M+K]+ 309.970158 164.7
[M+H-H2O]+ 254.004260 150.7
[M+HCOO]- 316.005201 169.7
[M+CH3COO]- 330.020851 191.5
[M+Na-2H]- 291.981666 158.8
[M]+ 271.00645142 163.5
[M]- 271.00754858 163.5
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.