CID 165998269

En300-7546836

Structural Information

Molecular Formula
C9H7BF5
SMILES
[B-](C1(CC1(F)F)C2=CC=CC=C2)(F)(F)F
InChI
InChI=1S/C9H7BF5/c11-9(12)6-8(9,10(13,14)15)7-4-2-1-3-5-7/h1-5H,6H2/q-1
InChIKey
YQDBCWGIQHXRII-UHFFFAOYSA-N
Compound name
(2,2-difluoro-1-phenylcyclopropyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.05609 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06337 129.9
[M+Na]+ 244.04531 140.9
[M-H]- 220.04881 130.3
[M+NH4]+ 239.08991 146.5
[M+K]+ 260.01925 138.5
[M+H-H2O]+ 204.05335 123.5
[M+HCOO]- 266.05429 146.8
[M+CH3COO]- 280.06994 187.5
[M+Na-2H]- 242.03076 136.9
[M]+ 221.05554 124.1
[M]- 221.05664 124.1
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.