CID 137935598

1321028-49-2

Structural Information

Molecular Formula
C7H4ClF3O2S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)C(F)(F)Cl
InChI
InChI=1S/C7H4ClF3O2S/c8-7(10,11)14(12,13)6-3-1-5(9)2-4-6/h1-4H
InChIKey
QRZIVEYRKDUZKW-UHFFFAOYSA-N
Compound name
1-[chloro(difluoro)methyl]sulfonyl-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.95726 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.96454 139.0
[M+Na]+ 266.94648 150.1
[M-H]- 242.94998 139.7
[M+NH4]+ 261.99108 157.9
[M+K]+ 282.92042 145.2
[M+H-H2O]+ 226.95452 132.5
[M+HCOO]- 288.95546 149.0
[M+CH3COO]- 302.97111 185.5
[M+Na-2H]- 264.93193 143.7
[M]+ 243.95671 139.6
[M]- 243.95781 139.6
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

No patent data available for this compound.