CID 14954192

148058-40-6

Structural Information

Molecular Formula
C10H7F3N2O2
SMILES
C1=CC(=CC=C1CC(=O)O)C2(N=N2)C(F)(F)F
InChI
InChI=1S/C10H7F3N2O2/c11-10(12,13)9(14-15-9)7-3-1-6(2-4-7)5-8(16)17/h1-4H,5H2,(H,16,17)
InChIKey
ILMVLFNNVDOUFY-UHFFFAOYSA-N
Compound name
2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

244.04596 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05324 149.4
[M+Na]+ 267.03518 160.8
[M-H]- 243.03868 149.9
[M+NH4]+ 262.07978 160.6
[M+K]+ 283.00912 156.6
[M+H-H2O]+ 227.04322 140.2
[M+HCOO]- 289.04416 166.3
[M+CH3COO]- 303.05981 190.8
[M+Na-2H]- 265.02063 156.0
[M]+ 244.04541 149.6
[M]- 244.04651 149.6
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