CID 522901

[3,5-bis(trifluoromethyl)phenyl]hydrazine

Structural Information

Molecular Formula
C8H6F6N2
SMILES
C1=C(C=C(C=C1C(F)(F)F)NN)C(F)(F)F
InChI
InChI=1S/C8H6F6N2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3,16H,15H2
InChIKey
OULWACKZBGBRNT-UHFFFAOYSA-N
Compound name
[3,5-bis(trifluoromethyl)phenyl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

244.04352 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05080 144.1
[M+Na]+ 267.03274 153.4
[M-H]- 243.03624 140.2
[M+NH4]+ 262.07734 160.9
[M+K]+ 283.00668 149.5
[M+H-H2O]+ 227.04078 133.7
[M+HCOO]- 289.04172 160.6
[M+CH3COO]- 303.05737 196.2
[M+Na-2H]- 265.01819 148.6
[M]+ 244.04297 133.2
[M]- 244.04407 133.2
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

patents stripe