CID 45588184

1027642-25-6

Structural Information

Molecular Formula
C8H9BF3O
SMILES
[B-](COCC1=CC=CC=C1)(F)(F)F
InChI
InChI=1S/C8H9BF3O/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h1-5H,6-7H2/q-1
InChIKey
OJVBRSMROLIUDJ-UHFFFAOYSA-N
Compound name
trifluoro(phenylmethoxymethyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

189.06985 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.07713 132.3
[M+Na]+ 212.05907 139.9
[M-H]- 188.06257 130.2
[M+NH4]+ 207.10367 151.3
[M+K]+ 228.03301 137.7
[M+H-H2O]+ 172.06711 126.7
[M+HCOO]- 234.06805 151.8
[M+CH3COO]- 248.08370 178.7
[M+Na-2H]- 210.04452 138.6
[M]+ 189.06930 127.2
[M]- 189.07040 127.2
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