CID 63209890

Methyl 3-(chlorosulfonyl)-4-fluoro-5-methylbenzoate

Structural Information

Molecular Formula
C9H8ClFO4S
SMILES
CC1=CC(=CC(=C1F)S(=O)(=O)Cl)C(=O)OC
InChI
InChI=1S/C9H8ClFO4S/c1-5-3-6(9(12)15-2)4-7(8(5)11)16(10,13)14/h3-4H,1-2H3
InChIKey
LLDDDJIXVHWWOT-UHFFFAOYSA-N
Compound name
methyl 3-chlorosulfonyl-4-fluoro-5-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

265.9816 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.98888 153.4
[M+Na]+ 288.97082 164.9
[M+NH4]+ 284.01542 159.7
[M+K]+ 304.94476 158.5
[M-H]- 264.97432 151.8
[M+Na-2H]- 286.95627 157.1
[M]+ 265.98105 155.1
[M]- 265.98215 155.1
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