CID 129897437

2095409-03-1

Structural Information

Molecular Formula
C4H6F3N3
SMILES
C(CN)C1(N=N1)C(F)(F)F
InChI
InChI=1S/C4H6F3N3/c5-4(6,7)3(1-2-8)9-10-3/h1-2,8H2
InChIKey
PEUOAUPUTPQHPF-UHFFFAOYSA-N
Compound name
2-[3-(trifluoromethyl)diazirin-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.05138 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.05866 128.2
[M+Na]+ 176.04060 139.5
[M-H]- 152.04410 126.6
[M+NH4]+ 171.08520 143.3
[M+K]+ 192.01454 137.0
[M+H-H2O]+ 136.04864 119.9
[M+HCOO]- 198.04958 147.5
[M+CH3COO]- 212.06523 179.6
[M+Na-2H]- 174.02605 136.8
[M]+ 153.05083 126.8
[M]- 153.05193 126.8
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

No patent data available for this compound.