CID 2777399

4-(trifluoromethyl)benzenesulfonyl chloride

Structural Information

Molecular Formula
C7H4ClF3O2S
SMILES
C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKey
OZDCZHDOIBUGAJ-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3617
Patents

243.95726 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.96454 139.1
[M+Na]+ 266.94648 150.4
[M-H]- 242.94998 140.0
[M+NH4]+ 261.99108 158.2
[M+K]+ 282.92042 145.5
[M+H-H2O]+ 226.95452 132.7
[M+HCOO]- 288.95546 149.2
[M+CH3COO]- 302.97111 184.8
[M+Na-2H]- 264.93193 143.9
[M]+ 243.95671 139.7
[M]- 243.95781 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe