CID 53212015

1282218-14-7

Structural Information

Molecular Formula
C8H6ClNO3S2
SMILES
CC1=NOC(=C1)C2=CC=C(S2)S(=O)(=O)Cl
InChI
InChI=1S/C8H6ClNO3S2/c1-5-4-6(13-10-5)7-2-3-8(14-7)15(9,11)12/h2-4H,1H3
InChIKey
KYTGBJPEUYAGNH-UHFFFAOYSA-N
Compound name
5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

262.94775 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.95503 154.4
[M+Na]+ 285.93697 168.6
[M-H]- 261.94047 163.0
[M+NH4]+ 280.98157 174.5
[M+K]+ 301.91091 165.0
[M+H-H2O]+ 245.94501 151.0
[M+HCOO]- 307.94595 166.3
[M+CH3COO]- 321.96160 186.2
[M+Na-2H]- 283.92242 155.4
[M]+ 262.94720 163.5
[M]- 262.94830 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

patents stripe