CID 115280297

4-(difluoromethoxy)-2-methylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H7ClF2O3S
SMILES
CC1=C(C=CC(=C1)OC(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClF2O3S/c1-5-4-6(14-8(10)11)2-3-7(5)15(9,12)13/h2-4,8H,1H3
InChIKey
PIWPGOHRXSPSCK-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-2-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.97725 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.98453 149.5
[M+Na]+ 278.96647 160.0
[M+NH4]+ 274.01107 155.8
[M+K]+ 294.94041 153.5
[M-H]- 254.96997 147.1
[M+Na-2H]- 276.95192 153.4
[M]+ 255.97670 150.8
[M]- 255.97780 150.8
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

No patent data available for this compound.