CID 2782851

850623-62-0

Structural Information

Molecular Formula
C7H6BF4O
SMILES
[B-](C1=CC(=C(C=C1)OC)F)(F)(F)F
InChI
InChI=1S/C7H6BF4O/c1-13-7-3-2-5(4-6(7)9)8(10,11)12/h2-4H,1H3/q-1
InChIKey
MNSKWXBMLSFWTH-UHFFFAOYSA-N
Compound name
trifluoro-(3-fluoro-4-methoxyphenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04478 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.052056 129.2
[M+Na]+ 216.033998 139.1
[M-H]- 192.037504 126.7
[M+NH4]+ 211.078603 148.5
[M+K]+ 232.007938 136.8
[M+H-H2O]+ 176.042040 123.3
[M+HCOO]- 238.042981 147.9
[M+CH3COO]- 252.058631 180.7
[M+Na-2H]- 214.019446 134.2
[M]+ 193.04423142 123.3
[M]- 193.04532858 123.3
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.