CID 2736109

175136-69-3

Structural Information

Molecular Formula
C9H7F6N3O2S
SMILES
C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)N=C(N)N)C(F)(F)F
InChI
InChI=1S/C9H7F6N3O2S/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)21(19,20)18-7(16)17/h1-3H,(H4,16,17,18)
InChIKey
WTARQWCVVSWPSK-UHFFFAOYSA-N
Compound name
2-[3,5-bis(trifluoromethyl)phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.01633 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.02361 161.4
[M+Na]+ 358.00555 169.9
[M-H]- 334.00905 157.9
[M+NH4]+ 353.05015 174.5
[M+K]+ 373.97949 165.5
[M+H-H2O]+ 318.01359 150.0
[M+HCOO]- 380.01453 172.5
[M+CH3COO]- 394.03018 212.0
[M+Na-2H]- 355.99100 163.2
[M]+ 335.01578 152.5
[M]- 335.01688 152.5
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