CID 165961556

En300-1587339

Structural Information

Molecular Formula
C7H5F4NO2S
SMILES
C1=CC(=C(C=C1N)C(F)(F)F)S(=O)(=O)F
InChI
InChI=1S/C7H5F4NO2S/c8-7(9,10)5-3-4(12)1-2-6(5)15(11,13)14/h1-3H,12H2
InChIKey
GHXMUESHHCBDSL-UHFFFAOYSA-N
Compound name
4-amino-2-(trifluoromethyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.99771 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.00499 141.3
[M+Na]+ 265.98693 151.7
[M-H]- 241.99043 140.1
[M+NH4]+ 261.03153 158.9
[M+K]+ 281.96087 147.6
[M+H-H2O]+ 225.99497 132.7
[M+HCOO]- 287.99591 154.9
[M+CH3COO]- 302.01156 189.2
[M+Na-2H]- 263.97238 144.5
[M]+ 242.99716 137.1
[M]- 242.99826 137.1
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.