CID 146030227

Gtps (ssre-018)

Structural Information

Molecular Formula
C8H8F3N5O3S
SMILES
C1=CC(=C(N=C1)S(=O)(=O)NC(=O)N=C(N)N)C(F)(F)F
InChI
InChI=1S/C8H8F3N5O3S/c9-8(10,11)4-2-1-3-14-5(4)20(18,19)16-7(17)15-6(12)13/h1-3H,(H5,12,13,15,16,17)
InChIKey
HJQDQTGEWXKJEF-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

311.03 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.037276 159.2
[M+Na]+ 334.019218 165.9
[M-H]- 310.022724 158.1
[M+NH4]+ 329.063823 171.4
[M+K]+ 349.993158 162.7
[M+H-H2O]+ 294.027260 149.0
[M+HCOO]- 356.028201 174.6
[M+CH3COO]- 370.043851 208.5
[M+Na-2H]- 332.004666 162.8
[M]+ 311.02945142 153.6
[M]- 311.03054858 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.