CID 124201520

65595-30-4

Structural Information

Molecular Formula
C11H11BF2N2
SMILES
[B-]1(N2C(=CC(=C2C=C3[N+]1=CC=C3)C)C)(F)F
InChI
InChI=1S/C11H11BF2N2/c1-8-6-9(2)16-11(8)7-10-4-3-5-15(10)12(16,13)14/h3-7H,1-2H3
InChIKey
PIHALWZKFOHBCB-UHFFFAOYSA-N
Compound name
2,2-difluoro-4,6-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

220.09833 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10561 143.3
[M+Na]+ 243.08755 156.0
[M-H]- 219.09105 143.8
[M+NH4]+ 238.13215 166.6
[M+K]+ 259.06149 145.9
[M+H-H2O]+ 203.09559 140.5
[M+HCOO]- 265.09653 162.6
[M+CH3COO]- 279.11218 180.6
[M+Na-2H]- 241.07300 149.4
[M]+ 220.09778 140.2
[M]- 220.09888 140.2
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