CID 2405278

97630-12-1

Structural Information

Molecular Formula
C12H12F6N2O2S
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C12H12F6N2O2S/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)23(21,22)20-3-1-19-2-4-20/h5-7,19H,1-4H2
InChIKey
FWXRYDHZTLMKQN-UHFFFAOYSA-N
Compound name
1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

362.05237 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.05965 173.8
[M+Na]+ 385.04159 181.4
[M-H]- 361.04509 168.3
[M+NH4]+ 380.08619 183.1
[M+K]+ 401.01553 175.3
[M+H-H2O]+ 345.04963 161.5
[M+HCOO]- 407.05057 175.1
[M+CH3COO]- 421.06622 205.1
[M+Na-2H]- 383.02704 174.7
[M]+ 362.05182 162.8
[M]- 362.05292 162.8
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

patents stripe