CID 2734274

2-chloro-5-(trifluoromethyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H3Cl2F3O2S
SMILES
C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C7H3Cl2F3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H
InChIKey
ZEYKLMDPUOVUCR-UHFFFAOYSA-N
Compound name
2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1040
Patents

277.9183 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.92558 143.0
[M+Na]+ 300.90752 155.2
[M-H]- 276.91102 143.8
[M+NH4]+ 295.95212 161.4
[M+K]+ 316.88146 149.2
[M+H-H2O]+ 260.91556 137.6
[M+HCOO]- 322.91650 148.1
[M+CH3COO]- 336.93215 190.6
[M+Na-2H]- 298.89297 146.6
[M]+ 277.91775 145.0
[M]- 277.91885 145.0
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

patents stripe