CID 21120599

2825005-42-1

Structural Information

Molecular Formula
C11H10F3N3O2
SMILES
C1=CC(=CC=C1CC(C(=O)O)N)C2(N=N2)C(F)(F)F
InChI
InChI=1S/C11H10F3N3O2/c12-11(13,14)10(16-17-10)7-3-1-6(2-4-7)5-8(15)9(18)19/h1-4,8H,5,15H2,(H,18,19)
InChIKey
HRGXDARRSCSGOG-UHFFFAOYSA-N
Compound name
2-amino-3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0725 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07978 154.8
[M+Na]+ 296.06172 164.7
[M-H]- 272.06522 154.6
[M+NH4]+ 291.10632 164.3
[M+K]+ 312.03566 160.2
[M+H-H2O]+ 256.06976 145.7
[M+HCOO]- 318.07070 170.9
[M+CH3COO]- 332.08635 198.7
[M+Na-2H]- 294.04717 159.5
[M]+ 273.07195 153.3
[M]- 273.07305 153.3
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.