CID 43436758

Methyl 2-chloro-5-(chlorosulfonyl)-4-fluorobenzoate

Structural Information

Molecular Formula
C8H5Cl2FO4S
SMILES
COC(=O)C1=CC(=C(C=C1Cl)F)S(=O)(=O)Cl
InChI
InChI=1S/C8H5Cl2FO4S/c1-15-8(12)4-2-7(16(10,13)14)6(11)3-5(4)9/h2-3H,1H3
InChIKey
AULCPHOWJWXGCA-UHFFFAOYSA-N
Compound name
methyl 2-chloro-5-chlorosulfonyl-4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

285.92697 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.93425 153.8
[M+Na]+ 308.91619 165.9
[M+NH4]+ 303.96079 160.3
[M+K]+ 324.89013 159.2
[M-H]- 284.91969 152.2
[M+Na-2H]- 306.90164 157.9
[M]+ 285.92642 155.9
[M]- 285.92752 155.9
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