CID 21069851

2031260-46-3

Structural Information

Molecular Formula
C9H8F3N3
SMILES
C1=CC(=CC(=C1)C2(N=N2)C(F)(F)F)CN
InChI
InChI=1S/C9H8F3N3/c10-9(11,12)8(14-15-8)7-3-1-2-6(4-7)5-13/h1-4H,5,13H2
InChIKey
MDQXHBVWVLDNDI-UHFFFAOYSA-N
Compound name
[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

215.06703 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.07431 142.7
[M+Na]+ 238.05625 154.3
[M-H]- 214.05975 144.0
[M+NH4]+ 233.10085 155.5
[M+K]+ 254.03019 150.0
[M+H-H2O]+ 198.06429 133.2
[M+HCOO]- 260.06523 162.2
[M+CH3COO]- 274.08088 190.6
[M+Na-2H]- 236.04170 150.7
[M]+ 215.06648 141.2
[M]- 215.06758 141.2
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