CID 25139895

4-fluoro-3-methanesulfonylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H6ClFO4S2
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)Cl)F
InChI
InChI=1S/C7H6ClFO4S2/c1-14(10,11)7-4-5(15(8,12)13)2-3-6(7)9/h2-4H,1H3
InChIKey
RLXOANSRXCHLPD-UHFFFAOYSA-N
Compound name
4-fluoro-3-methylsulfonylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

271.93802 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.94530 157.2
[M+Na]+ 294.92724 167.7
[M+NH4]+ 289.97184 163.5
[M+K]+ 310.90118 159.8
[M-H]- 270.93074 155.1
[M+Na-2H]- 292.91269 160.4
[M]+ 271.93747 159.2
[M]- 271.93857 159.2
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