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

54
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 147.3
[M+Na]+ 279.03274 156.3
[M-H]- 255.03624 143.4
[M+NH4]+ 274.07734 163.5
[M+K]+ 295.00668 152.1
[M+H-H2O]+ 239.04078 137.0
[M+HCOO]- 301.04172 162.8
[M+CH3COO]- 315.05737 199.1
[M+Na-2H]- 277.01819 150.2
[M]+ 256.04297 135.4
[M]- 256.04407 135.4
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