CID 63703553

1334209-42-5

Structural Information

Molecular Formula
C7H6BClF3
SMILES
[B-](CC1=CC=C(C=C1)Cl)(F)(F)F
InChI
InChI=1S/C7H6BClF3/c9-7-3-1-6(2-4-7)5-8(10,11)12/h1-4H,5H2/q-1
InChIKey
RNVLKUIFYRHROL-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

193.02032 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.027596 129.7
[M+Na]+ 216.009538 139.3
[M-H]- 192.013044 127.8
[M+NH4]+ 211.054143 149.7
[M+K]+ 231.983478 135.0
[M+H-H2O]+ 176.017580 125.5
[M+HCOO]- 238.018521 144.8
[M+CH3COO]- 252.034171 178.6
[M+Na-2H]- 213.994986 135.4
[M]+ 193.01977142 125.3
[M]- 193.02086858 125.3
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

patents stripe