CID 63702770

2126821-80-3

Structural Information

Molecular Formula
C7H6BClF3
SMILES
[B-](CC1=CC=CC=C1Cl)(F)(F)F
InChI
InChI=1S/C7H6BClF3/c9-7-4-2-1-3-6(7)5-8(10,11)12/h1-4H,5H2/q-1
InChIKey
MHRXPOSZEFOIFF-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)methyl-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.02032 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02760 129.8
[M+Na]+ 216.00954 139.3
[M-H]- 192.01304 127.8
[M+NH4]+ 211.05414 149.7
[M+K]+ 231.98348 135.0
[M+H-H2O]+ 176.01758 125.5
[M+HCOO]- 238.01852 144.8
[M+CH3COO]- 252.03417 178.6
[M+Na-2H]- 213.99499 135.4
[M]+ 193.01977 125.3
[M]- 193.02087 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

No patent data available for this compound.