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]+ 217.05832 143.2
[M+Na]+ 239.04026 155.1
[M-H]- 215.04376 143.7
[M+NH4]+ 234.08486 155.7
[M+K]+ 255.01420 150.9
[M+H-H2O]+ 199.04830 133.9
[M+HCOO]- 261.04924 161.0
[M+CH3COO]- 275.06489 186.1
[M+Na-2H]- 237.02571 151.3
[M]+ 216.05049 142.9
[M]- 216.05159 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.