CID 2736102

3,5-bis(trifluoromethyl)benzamidine hydrochloride

Structural Information

Molecular Formula
C9H6F6N2
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=N)N
InChI
InChI=1S/C9H6F6N2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H3,16,17)
InChIKey
NKSWBGJHZIMJCJ-UHFFFAOYSA-N
Compound name
3,5-bis(trifluoromethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

256.04352 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05080 162.9
[M+Na]+ 279.03274 166.7
[M+NH4]+ 274.07734 164.8
[M+K]+ 295.00668 163.5
[M-H]- 255.03624 156.7
[M+Na-2H]- 277.01819 163.4
[M]+ 256.04297 161.2
[M]- 256.04407 161.2
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

patents stripe