CID 670670

N-(1h-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline

Structural Information

Molecular Formula
C13H10F2N4
SMILES
C1=CC=C2C(=C1)N=NN2CNC3=C(C=CC(=C3)F)F
InChI
InChI=1S/C13H10F2N4/c14-9-5-6-10(15)12(7-9)16-8-19-13-4-2-1-3-11(13)17-18-19/h1-7,16H,8H2
InChIKey
NCYKEJOUNOPSOW-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-2,5-difluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

260.08734 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09462 153.7
[M+Na]+ 283.07656 167.3
[M+NH4]+ 278.12116 160.6
[M+K]+ 299.05050 161.6
[M-H]- 259.08006 154.7
[M+Na-2H]- 281.06201 161.8
[M]+ 260.08679 155.8
[M]- 260.08789 155.8
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