CID 520945

39234-86-1

Structural Information

Molecular Formula
C8H3ClF6O2S
SMILES
C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C8H3ClF6O2S/c9-18(16,17)6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
InChIKey
BTRCVKADYDVSLI-UHFFFAOYSA-N
Compound name
3,5-bis(trifluoromethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

756
Patents

311.94464 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.95192 150.0
[M+Na]+ 334.93386 161.9
[M-H]- 310.93736 147.1
[M+NH4]+ 329.97846 166.2
[M+K]+ 350.90780 156.2
[M+H-H2O]+ 294.94190 141.0
[M+HCOO]- 356.94284 155.0
[M+CH3COO]- 370.95849 197.4
[M+Na-2H]- 332.91931 153.1
[M]+ 311.94409 146.8
[M]- 311.94519 146.8
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.