CID 6477937

(e)-2-(benzotriazol-1-yl)-3-(2,3-difluorophenyl)prop-2-enenitrile

Structural Information

Molecular Formula
C15H8F2N4
SMILES
C1=CC=C2C(=C1)N=NN2/C(=C/C3=C(C(=CC=C3)F)F)/C#N
InChI
InChI=1S/C15H8F2N4/c16-12-5-3-4-10(15(12)17)8-11(9-18)21-14-7-2-1-6-13(14)19-20-21/h1-8H/b11-8+
InChIKey
LNQHCRICMIKGEV-DHZHZOJOSA-N
Compound name
(E)-2-(benzotriazol-1-yl)-3-(2,3-difluorophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.07172 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07900 160.5
[M+Na]+ 305.06094 173.1
[M-H]- 281.06444 160.0
[M+NH4]+ 300.10554 172.9
[M+K]+ 321.03488 164.5
[M+H-H2O]+ 265.06898 142.3
[M+HCOO]- 327.06992 175.6
[M+CH3COO]- 341.08557 169.9
[M+Na-2H]- 303.04639 163.7
[M]+ 282.07117 154.3
[M]- 282.07227 154.3
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

No patent data available for this compound.