CID 2778482

2-fluoro-4-methylbenzenesulfonyl chloride

Structural Information

Molecular Formula
C7H6ClFO2S
SMILES
CC1=CC(=C(C=C1)S(=O)(=O)Cl)F
InChI
InChI=1S/C7H6ClFO2S/c1-5-2-3-7(6(9)4-5)12(8,10)11/h2-4H,1H3
InChIKey
SDBFDPOFXLVGQF-UHFFFAOYSA-N
Compound name
2-fluoro-4-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

207.9761 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.98338 133.7
[M+Na]+ 230.96532 145.4
[M-H]- 206.96882 137.4
[M+NH4]+ 226.00992 154.6
[M+K]+ 246.93926 141.0
[M+H-H2O]+ 190.97336 129.1
[M+HCOO]- 252.97430 147.3
[M+CH3COO]- 266.98995 180.7
[M+Na-2H]- 228.95077 138.0
[M]+ 207.97555 137.6
[M]- 207.97665 137.6
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