CID 102404787

(3-(3-(trifluoromethyl)-3h-diazirin-3-yl)phenyl)methanol

Structural Information

Molecular Formula
C9H7F3N2O
SMILES
C1=CC(=CC(=C1)C2(N=N2)C(F)(F)F)CO
InChI
InChI=1S/C9H7F3N2O/c10-9(11,12)8(13-14-8)7-3-1-2-6(4-7)5-15/h1-4,15H,5H2
InChIKey
QZAZXCJOBNXZHE-UHFFFAOYSA-N
Compound name
[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05104 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.058316 143.2
[M+Na]+ 239.040258 155.1
[M-H]- 215.043764 143.7
[M+NH4]+ 234.084863 155.7
[M+K]+ 255.014198 150.9
[M+H-H2O]+ 199.048300 133.9
[M+HCOO]- 261.049241 161.0
[M+CH3COO]- 275.064891 186.1
[M+Na-2H]- 237.025706 151.3
[M]+ 216.05049142 142.9
[M]- 216.05158858 142.9
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.