CID 61728613

4-trifluoromethanesulfonylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H4ClF3O4S2
SMILES
C1=CC(=CC=C1S(=O)(=O)C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H4ClF3O4S2/c8-17(14,15)6-3-1-5(2-4-6)16(12,13)7(9,10)11/h1-4H
InChIKey
PGNBXFXYMQFHLQ-UHFFFAOYSA-N
Compound name
4-(trifluoromethylsulfonyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

307.91916 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.92644 153.1
[M+Na]+ 330.90838 163.7
[M-H]- 306.91188 153.6
[M+NH4]+ 325.95298 169.1
[M+K]+ 346.88232 157.9
[M+H-H2O]+ 290.91642 146.4
[M+HCOO]- 352.91736 156.9
[M+CH3COO]- 366.93301 192.4
[M+Na-2H]- 328.89383 157.4
[M]+ 307.91861 155.0
[M]- 307.91971 155.0
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