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]+ 272.01428 158.0
[M+Na]+ 293.99622 172.2
[M+NH4]+ 289.04082 165.9
[M+K]+ 309.97016 166.1
[M-H]- 269.99972 161.4
[M+Na-2H]- 291.98167 164.2
[M]+ 271.00645 161.9
[M]- 271.00755 161.9
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

No patent data available for this compound.