CID 44717220

850623-61-9

Structural Information

Molecular Formula
C10H13BF3O
SMILES
[B-](C1=CC=C(C=C1)OCCCC)(F)(F)F
InChI
InChI=1S/C10H13BF3O/c1-2-3-8-15-10-6-4-9(5-7-10)11(12,13)14/h4-7H,2-3,8H2,1H3/q-1
InChIKey
VSONHRYAADHDNA-UHFFFAOYSA-N
Compound name
(4-butoxyphenyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.10115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10843 141.5
[M+Na]+ 240.09037 149.2
[M-H]- 216.09387 139.4
[M+NH4]+ 235.13497 159.7
[M+K]+ 256.06431 146.5
[M+H-H2O]+ 200.09841 135.8
[M+HCOO]- 262.09935 160.4
[M+CH3COO]- 276.11500 185.8
[M+Na-2H]- 238.07582 146.1
[M]+ 217.10060 137.5
[M]- 217.10170 137.5
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.