CID 132398449

2172170-54-4

Structural Information

Molecular Formula
C9H4ClF3N2O3S
SMILES
C1=CC(=CC=C1C2=NOC(=N2)C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C9H4ClF3N2O3S/c10-19(16,17)6-3-1-5(2-4-6)7-14-8(18-15-7)9(11,12)13/h1-4H
InChIKey
GTUBHECEUPLPMS-UHFFFAOYSA-N
Compound name
4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.9583 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.96558 157.7
[M+Na]+ 334.94752 170.4
[M-H]- 310.95102 160.2
[M+NH4]+ 329.99212 171.8
[M+K]+ 350.92146 166.4
[M+H-H2O]+ 294.95556 149.2
[M+HCOO]- 356.95650 166.2
[M+CH3COO]- 370.97215 195.0
[M+Na-2H]- 332.93297 161.6
[M]+ 311.95775 160.7
[M]- 311.95885 160.7
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.