CID 2782861

411206-75-2

Structural Information

Molecular Formula
C6H4BClF3
SMILES
[B-](C1=CC(=CC=C1)Cl)(F)(F)F
InChI
InChI=1S/C6H4BClF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H/q-1
InChIKey
OKRSHYDJLPWRIA-UHFFFAOYSA-N
Compound name
(3-chlorophenyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

179.00467 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.01195 124.9
[M+Na]+ 201.99389 134.8
[M-H]- 177.99739 123.1
[M+NH4]+ 197.03849 145.3
[M+K]+ 217.96783 130.8
[M+H-H2O]+ 162.00193 120.8
[M+HCOO]- 224.00287 140.2
[M+CH3COO]- 238.01852 175.6
[M+Na-2H]- 199.97934 131.1
[M]+ 179.00412 120.0
[M]- 179.00522 120.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe