CID 13225910

1-azido-2-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C7H4F3N3
SMILES
C1=CC=C(C(=C1)C(F)(F)F)N=[N+]=[N-]
InChI
InChI=1S/C7H4F3N3/c8-7(9,10)5-3-1-2-4-6(5)12-13-11/h1-4H
InChIKey
KNPDKRVXJOVOQP-UHFFFAOYSA-N
Compound name
1-azido-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

187.03574 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04302 129.5
[M+Na]+ 210.02496 138.0
[M-H]- 186.02846 132.4
[M+NH4]+ 205.06956 149.4
[M+K]+ 225.99890 131.6
[M+H-H2O]+ 170.03300 125.5
[M+HCOO]- 232.03394 156.8
[M+CH3COO]- 246.04959 184.4
[M+Na-2H]- 208.01041 140.6
[M]+ 187.03519 123.2
[M]- 187.03629 123.2
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