CID 4682169

303090-97-3

Structural Information

Molecular Formula
C13H7F5N4
SMILES
C1=CC=C2C(=C1)N=NN2CNC3=C(C(=C(C(=C3F)F)F)F)F
InChI
InChI=1S/C13H7F5N4/c14-8-9(15)11(17)13(12(18)10(8)16)19-5-22-7-4-2-1-3-6(7)20-21-22/h1-4,19H,5H2
InChIKey
HPVNJZQLMQNTGQ-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.05908 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06636 163.7
[M+Na]+ 337.04830 178.1
[M-H]- 313.05180 162.9
[M+NH4]+ 332.09290 177.6
[M+K]+ 353.02224 170.3
[M+H-H2O]+ 297.05634 150.3
[M+HCOO]- 359.05728 181.9
[M+CH3COO]- 373.07293 174.9
[M+Na-2H]- 335.03375 166.5
[M]+ 314.05853 161.4
[M]- 314.05963 161.4
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

No patent data available for this compound.