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 148.2
[M+Na]+ 294.92724 159.4
[M-H]- 270.93074 151.6
[M+NH4]+ 289.97184 166.0
[M+K]+ 310.90118 153.8
[M+H-H2O]+ 254.93528 143.4
[M+HCOO]- 316.93622 155.4
[M+CH3COO]- 330.95187 188.3
[M+Na-2H]- 292.91269 151.7
[M]+ 271.93747 153.3
[M]- 271.93857 153.3
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

patents stripe