CID 63179686

5-cyano-2-(difluoromethoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H4ClF2NO3S
SMILES
C1=CC(=C(C=C1C#N)S(=O)(=O)Cl)OC(F)F
InChI
InChI=1S/C8H4ClF2NO3S/c9-16(13,14)7-3-5(4-12)1-2-6(7)15-8(10)11/h1-3,8H
InChIKey
NRNMCVZQGSLMFL-UHFFFAOYSA-N
Compound name
5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.95685 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.96413 150.9
[M+Na]+ 289.94607 163.3
[M-H]- 265.94957 153.2
[M+NH4]+ 284.99067 167.2
[M+K]+ 305.92001 159.3
[M+H-H2O]+ 249.95411 138.6
[M+HCOO]- 311.95505 159.9
[M+CH3COO]- 325.97070 201.7
[M+Na-2H]- 287.93152 153.0
[M]+ 266.95630 149.4
[M]- 266.95740 149.4
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.