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

10
Patents

201.05138 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.05866 138.5
[M+Na]+ 224.04060 150.5
[M-H]- 200.04410 140.0
[M+NH4]+ 219.08520 151.8
[M+K]+ 240.01454 146.5
[M+H-H2O]+ 184.04864 129.2
[M+HCOO]- 246.04958 158.4
[M+CH3COO]- 260.06523 187.7
[M+Na-2H]- 222.02605 147.0
[M]+ 201.05083 136.7
[M]- 201.05193 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