CID 122163211

5-methyl-2-nitrothiophene-3-sulfonyl chloride

Structural Information

Molecular Formula
C5H4ClNO4S2
SMILES
CC1=CC(=C(S1)[N+](=O)[O-])S(=O)(=O)Cl
InChI
InChI=1S/C5H4ClNO4S2/c1-3-2-4(13(6,10)11)5(12-3)7(8)9/h2H,1H3
InChIKey
VAQYDRAXPWODHF-UHFFFAOYSA-N
Compound name
5-methyl-2-nitrothiophene-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.92703 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.93431 146.4
[M+Na]+ 263.91625 156.0
[M-H]- 239.91975 151.0
[M+NH4]+ 258.96085 166.2
[M+K]+ 279.89019 147.6
[M+H-H2O]+ 223.92429 147.3
[M+HCOO]- 285.92523 157.3
[M+CH3COO]- 299.94088 177.9
[M+Na-2H]- 261.90170 149.7
[M]+ 240.92648 149.3
[M]- 240.92758 149.3
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.