CID 44717657

1150655-12-1

Structural Information

Molecular Formula
C7H3BF7
SMILES
[B-](C1=C(C=C(C=C1)C(F)(F)F)F)(F)(F)F
InChI
InChI=1S/C7H3BF7/c9-6-3-4(7(10,11)12)1-2-5(6)8(13,14)15/h1-3H/q-1
InChIKey
ZGRKYGWPVXHPGV-UHFFFAOYSA-N
Compound name
trifluoro-[2-fluoro-4-(trifluoromethyl)phenyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0216 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.02888 134.3
[M+Na]+ 254.01082 144.9
[M-H]- 230.01432 128.2
[M+NH4]+ 249.05542 151.9
[M+K]+ 269.98476 141.2
[M+H-H2O]+ 214.01886 126.3
[M+HCOO]- 276.01980 148.0
[M+CH3COO]- 290.03545 187.5
[M+Na-2H]- 251.99627 138.3
[M]+ 231.02105 122.4
[M]- 231.02215 122.4
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.