CID 43140225

4-[(trifluoromethyl)sulfanyl]benzene-1-carboximidamide; acetic acid

Structural Information

Molecular Formula
C8H7F3N2S
SMILES
C1=CC(=CC=C1C(=N)N)SC(F)(F)F
InChI
InChI=1S/C8H7F3N2S/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)
InChIKey
YUCJTPBAIPBPRX-UHFFFAOYSA-N
Compound name
4-(trifluoromethylsulfanyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0282 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03548 140.0
[M+Na]+ 243.01742 147.7
[M-H]- 219.02092 139.4
[M+NH4]+ 238.06202 158.0
[M+K]+ 258.99136 143.3
[M+H-H2O]+ 203.02546 131.5
[M+HCOO]- 265.02640 155.2
[M+CH3COO]- 279.04205 190.2
[M+Na-2H]- 241.00287 142.3
[M]+ 220.02765 134.1
[M]- 220.02875 134.1
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.