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 155.9
[M+Na]+ 293.99622 168.4
[M-H]- 269.99972 163.8
[M+NH4]+ 289.04082 173.5
[M+K]+ 309.97016 164.7
[M+H-H2O]+ 254.00426 150.7
[M+HCOO]- 316.00520 169.7
[M+CH3COO]- 330.02085 191.5
[M+Na-2H]- 291.98167 158.8
[M]+ 271.00645 163.5
[M]- 271.00755 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.