CID 76683858

4-[3-(trifluoromethyl)-3h-diazirin-3-yl]aniline hydrochloride

Structural Information

Molecular Formula
C8H6F3N3
SMILES
C1=CC(=CC=C1C2(N=N2)C(F)(F)F)N
InChI
InChI=1S/C8H6F3N3/c9-8(10,11)7(13-14-7)5-1-3-6(12)4-2-5/h1-4H,12H2
InChIKey
KBYVARJFNZZBBI-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethyl)diazirin-3-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

201.05138 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.058656 138.5
[M+Na]+ 224.040598 150.5
[M-H]- 200.044104 140.0
[M+NH4]+ 219.085203 151.8
[M+K]+ 240.014538 146.5
[M+H-H2O]+ 184.048640 129.2
[M+HCOO]- 246.049581 158.4
[M+CH3COO]- 260.065231 187.7
[M+Na-2H]- 222.026046 147.0
[M]+ 201.05083142 136.7
[M]- 201.05192858 136.7
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