CID 53404307

1187927-62-3

Structural Information

Molecular Formula
C8H6F4N2
SMILES
C1=CC(=C(C=C1F)C(F)(F)F)C(=N)N
InChI
InChI=1S/C8H6F4N2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H3,13,14)
InChIKey
YSKLZEKCBLUTAK-UHFFFAOYSA-N
Compound name
4-fluoro-2-(trifluoromethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0467 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05398 137.2
[M+Na]+ 229.03592 146.0
[M-H]- 205.03942 135.9
[M+NH4]+ 224.08052 155.5
[M+K]+ 245.00986 142.4
[M+H-H2O]+ 189.04396 128.4
[M+HCOO]- 251.04490 156.8
[M+CH3COO]- 265.06055 190.5
[M+Na-2H]- 227.02137 141.0
[M]+ 206.04615 128.2
[M]- 206.04725 128.2
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.